MiMeDB: Showing metabocard for (6S)-NADHX (MMDBc0054980)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 19:39:05 UTC

Update Date

2025-10-07 16:08:50 UTC

Metabolite ID

MMDBc0054980

Metabolite Identification

Common Name

(6S)-NADHX

Description

(6S)-NADHX is a member of the nucleotide coenzyme class. There is limited literature available on this metabolite, indicating that further research may be necessary to fully understand its biological significance and potential roles in metabolic pathways.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172221392D          

 54 58  0  0  1  0            999 V2000
   -9.3338   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7817   -2.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2719   -1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316   -1.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0788   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5853   -1.6065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0992   -1.0091    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.9748   -2.4231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7568   -0.7995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8838   -1.2640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5773   -0.7133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3687   -0.5966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6309   -0.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9129   -1.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4378   -0.7554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7198   -1.6385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4227   -3.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2048   -0.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9898    0.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3759    0.2008    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0749   -1.0390    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7461   -2.5464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4743   -0.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045   -2.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1642   -1.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220   -1.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2998   -2.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568   -2.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -1.7927    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9894   -1.6433    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9442   -1.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2282   -1.8239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2297   -3.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0525   -0.0293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986   -1.3931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4012   -0.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432    0.1385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1264   -2.2639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3004    0.6542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  8  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  1  0  0  0
 10  5  1  1  0  0  0
 11  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  2  0  0  0  0
 18  8  1  0  0  0  0
 19 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24  6  2  0  0  0  0
 24 17  1  0  0  0  0
 25  6  1  0  0  0  0
 25 19  2  0  0  0  0
 26  7  2  0  0  0  0
 26 12  1  0  0  0  0
 27  3  1  0  0  0  0
 27 11  1  0  0  0  0
 20 27  1  1  0  0  0
 28  7  1  0  0  0  0
 28 19  1  0  0  0  0
 21 28  1  1  0  0  0
 11 29  1  1  0  0  0
 13 30  1  6  0  0  0
 14 31  1  6  0  0  0
 15 32  1  6  0  0  0
 16 33  1  6  0  0  0
 34 18  1  0  0  0  0
 39  4  1  0  0  0  0
 40  5  1  0  0  0  0
 41  9  1  0  0  0  0
 41 20  1  0  0  0  0
 42 10  1  0  0  0  0
 42 21  1  0  0  0  0
 44 35  1  0  0  0  0
 44 36  2  0  0  0  0
 44 39  1  0  0  0  0
 44 43  1  0  0  0  0
 45 37  1  0  0  0  0
 45 38  2  0  0  0  0
 45 40  1  0  0  0  0
 45 43  1  0  0  0  0
  9 46  1  6  0  0  0
 10 47  1  6  0  0  0
 11 48  1  6  0  0  0
 13 49  1  1  0  0  0
 14 50  1  1  0  0  0
 15 51  1  1  0  0  0
 16 52  1  1  0  0  0
 20 53  1  6  0  0  0
 21 54  1  6  0  0  0
M  CHG  2  34  -1  35  -1
M  END


  Mrv1652306172221392D          

 54 58  0  0  1  0            999 V2000
   -9.3338   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7817   -2.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2719   -1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316   -1.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0788   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5853   -1.6065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0992   -1.0091    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.9748   -2.4231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7568   -0.7995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8838   -1.2640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5773   -0.7133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3687   -0.5966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6309   -0.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9129   -1.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4378   -0.7554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7198   -1.6385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4227   -3.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2048   -0.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9898    0.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3759    0.2008    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0749   -1.0390    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7461   -2.5464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4743   -0.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045   -2.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1642   -1.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220   -1.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2998   -2.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568   -2.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -1.7927    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9894   -1.6433    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9442   -1.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2282   -1.8239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2297   -3.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0525   -0.0293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986   -1.3931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4012   -0.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432    0.1385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1264   -2.2639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3004    0.6542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  8  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  1  0  0  0
 10  5  1  1  0  0  0
 11  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  2  0  0  0  0
 18  8  1  0  0  0  0
 19 12  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  2  0  0  0  0
 24  6  2  0  0  0  0
 24 17  1  0  0  0  0
 25  6  1  0  0  0  0
 25 19  2  0  0  0  0
 26  7  2  0  0  0  0
 26 12  1  0  0  0  0
 27  3  1  0  0  0  0
 27 11  1  0  0  0  0
 20 27  1  1  0  0  0
 28  7  1  0  0  0  0
 28 19  1  0  0  0  0
 21 28  1  1  0  0  0
 11 29  1  1  0  0  0
 13 30  1  6  0  0  0
 14 31  1  6  0  0  0
 15 32  1  6  0  0  0
 16 33  1  6  0  0  0
 34 18  1  0  0  0  0
 39  4  1  0  0  0  0
 40  5  1  0  0  0  0
 41  9  1  0  0  0  0
 41 20  1  0  0  0  0
 42 10  1  0  0  0  0
 42 21  1  0  0  0  0
 44 35  1  0  0  0  0
 44 36  2  0  0  0  0
 44 39  1  0  0  0  0
 44 43  1  0  0  0  0
 45 37  1  0  0  0  0
 45 38  2  0  0  0  0
 45 40  1  0  0  0  0
 45 43  1  0  0  0  0
  9 46  1  6  0  0  0
 10 47  1  6  0  0  0
 11 48  1  6  0  0  0
 13 49  1  1  0  0  0
 14 50  1  1  0  0  0
 15 51  1  1  0  0  0
 16 52  1  1  0  0  0
 20 53  1  6  0  0  0
 21 54  1  6  0  0  0
M  CHG  2  34  -1  35  -1
M  END
> <DATABASE_ID>
MMDBc0054980

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(COP(O)(=O)OP([O-])(=O)OC[C@@]2([H])O[C@@]([H])(N3C=C(CC[C@]3([H])O)C([O-])=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/p-2/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1

> <INCHI_KEY>
IDBZKGQRLBFUFQ-VPHRTNKSSA-L

> <FORMULA>
C21H29N7O15P2

> <MOLECULAR_WEIGHT>
681.446

> <EXACT_MASS>
681.120784418

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
59.992692445245815

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6S)-1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphono)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-6-hydroxy-1,4,5,6-tetrahydropyridine-3-carboximidate

> <JCHEM_LOGP>
-8.27623874482317

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8733485594588677

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.5224432813007458

> <JCHEM_PKA_STRONGEST_BASIC>
11.973607405470904

> <JCHEM_POLAR_SURFACE_AREA>
344.5000000000001

> <JCHEM_REFRACTIVITY>
164.4121

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6S)-1-[(2R,3R,4S,5R)-5-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl phosphono}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-6-hydroxy-5,6-dihydro-4H-pyridine-3-carboximidate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0     -17.423  -3.699   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -16.393  -4.843   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -15.441  -1.914   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.019  -3.625   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.061  -2.789   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -16.947  -2.234   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -10.426  -2.999   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.185  -1.884   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -14.886  -4.523   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -10.746  -1.492   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.650  -2.359   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -12.278  -1.332   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.555  -1.114   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -17.978  -1.090   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -12.904  -2.738   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.650   0.132   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       4.924   5.923   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0     -19.484  -1.410   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0       6.258   3.613   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0       4.924   1.303   0.000  0.00  0.00           N+0
HETATM   26  N   UNK     0       2.126   4.089   0.000  0.00  0.00           N+0
HETATM   27  N   UNK     0     -14.410  -3.059   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0       2.126   1.597   0.000  0.00  0.00           N+0
HETATM   29  O   UNK     0     -13.856  -5.668   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -9.716  -0.348   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.126  -3.824   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0     -13.048   0.002   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.095  -1.114   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0     -17.502   0.375   0.000  0.00  0.00           O-1
HETATM   35  O   UNK     0      -5.740  -1.940   0.000  0.00  0.00           O-1
HETATM   36  O   UNK     0      -6.993  -4.753   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -4.619  -1.822   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -2.808  -4.313   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -7.773  -2.720   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -2.468  -2.162   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0     -11.760  -3.769   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       0.185  -0.344   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -4.959  -3.973   0.000  0.00  0.00           O+0
HETATM   44  P   UNK     0      -6.366  -3.346   0.000  0.00  0.00           P+0
HETATM   45  P   UNK     0      -3.714  -3.068   0.000  0.00  0.00           P+0
HETATM   46  H   UNK     0      -9.229  -2.030   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0       0.426  -3.405   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0     -15.362  -5.988   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0     -11.298  -0.055   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0       3.171  -2.600   0.000  0.00  0.00           H+0
HETATM   51  H   UNK     0     -13.816  -1.412   0.000  0.00  0.00           H+0
HETATM   52  H   UNK     0       3.254   0.259   0.000  0.00  0.00           H+0
HETATM   53  H   UNK     0     -13.303  -4.226   0.000  0.00  0.00           H+0
HETATM   54  H   UNK     0       0.561   1.221   0.000  0.00  0.00           H+0
CONECT    1    2    8                                                       
CONECT    2    1   11                                                       
CONECT    3    8   27                                                       
CONECT    4    9   39                                                       
CONECT    5   10   40                                                       
CONECT    6   24   25                                                       
CONECT    7   26   28                                                       
CONECT    8    1    3   18                                                  
CONECT    9    4   13   41   46                                             
CONECT   10    5   14   42   47                                             
CONECT   11    2   27   29   48                                             
CONECT   12   17   19   26                                                  
CONECT   13    9   15   30   49                                             
CONECT   14   10   16   31   50                                             
CONECT   15   13   20   32   51                                             
CONECT   16   14   21   33   52                                             
CONECT   17   12   22   24                                                  
CONECT   18    8   23   34                                                  
CONECT   19   12   25   28                                                  
CONECT   20   15   27   41   53                                             
CONECT   21   16   28   42   54                                             
CONECT   22   17                                                            
CONECT   23   18                                                            
CONECT   24    6   17                                                       
CONECT   25    6   19                                                       
CONECT   26    7   12                                                       
CONECT   27    3   11   20                                                  
CONECT   28    7   19   21                                                  
CONECT   29   11                                                            
CONECT   30   13                                                            
CONECT   31   14                                                            
CONECT   32   15                                                            
CONECT   33   16                                                            
CONECT   34   18                                                            
CONECT   35   44                                                            
CONECT   36   44                                                            
CONECT   37   45                                                            
CONECT   38   45                                                            
CONECT   39    4   44                                                       
CONECT   40    5   45                                                       
CONECT   41    9   20                                                       
CONECT   42   10   21                                                       
CONECT   43   44   45                                                       
CONECT   44   35   36   39   43                                             
CONECT   45   37   38   40   43                                             
CONECT   46    9                                                            
CONECT   47   10                                                            
CONECT   48   11                                                            
CONECT   49   13                                                            
CONECT   50   14                                                            
CONECT   51   15                                                            
CONECT   52   16                                                            
CONECT   53   20                                                            
CONECT   54   21                                                            
MASTER        0    0    0    0    0    0    0    0   54    0  116    0
END

Synonyms

Value	Source
(6S)-NADHX	ChEBI

Molecular Formula

C₂₁H₂₉N₇O₁₅P₂

Average Mass

681.446

Monoisotopic Mass

681.120784418

IUPAC Name

(6S)-1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphono)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-6-hydroxy-1,4,5,6-tetrahydropyridine-3-carboximidate

Traditional Name

(6S)-1-[(2R,3R,4S,5R)-5-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl phosphono}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-6-hydroxy-5,6-dihydro-4H-pyridine-3-carboximidate

CAS Registry Number

Not Available

SMILES

[H][C@]1(COP(O)(=O)OP([O-])(=O)OC[C@@]2([H])O[C@@]([H])(N3C=C(CC[C@]3([H])O)C([O-])=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O

InChI Identifier

InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/p-2/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1

InChI Key

IDBZKGQRLBFUFQ-VPHRTNKSSA-L

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine nucleotide sugars

Direct Parent

Purine nucleotide sugars

Alternative Parents

Substituents

Purine nucleotide sugar
Purine ribonucleoside diphosphate
Purine ribonucleoside monophosphate
Nicotinamide-nucleotide
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-aminopurine
Monosaccharide phosphate
Organic pyrophosphate
Imidazopyrimidine
Purine
Aminopyrimidine
Tetrahydropyridine
Imidolactam
Hydropyridine
Alkyl phosphate
Pyrimidine
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Azole
Vinylogous amide
Imidazole
Tetrahydrofuran
Heteroaromatic compound
Primary carboxylic acid amide
Carboxamide group
Secondary alcohol
Amino acid or derivatives
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Azacycle
Alkanolamine
Alcohol
Organooxygen compound
Organic oxygen compound
Organic oxide
Carbonyl group
Organopnictogen compound
Primary amine
Organonitrogen compound
Amine
Organic nitrogen compound
Hydrocarbon derivative
Organic anion
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

nucleotide-sugar oxoanion (CHEBI:64074 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-8.3	ChemAxon
pKa (Strongest Acidic)	0.52	ChemAxon
pKa (Strongest Basic)	11.97	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	344.5 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	164.41 m³·mol⁻¹	ChemAxon
Polarizability	59.99 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	623.5
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	314.3
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	235.8
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	391.9
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	343.7
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	192.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	1687.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	511.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	568.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	146.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	289.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	164.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	73.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	455.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	448.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	78.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	245.2
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1059.0
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	685.4

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	(6S)-NADHX_TMS_1	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1767.23
Gas Chromatography	(6S)-NADHX_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]1N1C=C(C(=N)[O-])CC[C@@H]1O	standard non polar	2025-10-24	1618.66
Gas Chromatography	(6S)-NADHX_TMS_3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	1023.28
Gas Chromatography	(6S)-NADHX_TMS_4	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-24	1077.67
Gas Chromatography	(6S)-NADHX_TMS_5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	2177.88
Gas Chromatography	(6S)-NADHX_TMS_6	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2619.73
Gas Chromatography	(6S)-NADHX_TMS_7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	137.223
Gas Chromatography	(6S)-NADHX_TMS_8	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	3163.43
Gas Chromatography	(6S)-NADHX_TMS_9	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	728.834
Gas Chromatography	(6S)-NADHX_TMS_10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	2607.72
Gas Chromatography	(6S)-NADHX_TMS_11	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1418.9
Gas Chromatography	(6S)-NADHX_TMS_12	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1519.77
Gas Chromatography	(6S)-NADHX_TMS_13	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1844.35
Gas Chromatography	(6S)-NADHX_TMS_14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1699.9
Gas Chromatography	(6S)-NADHX_TMS_15	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	2289.92
Gas Chromatography	(6S)-NADHX_TMS_16	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2836.09
Gas Chromatography	(6S)-NADHX_TMS_17	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]1N1C=C(C(=N)[O-])CC[C@@H]1O	standard non polar	2025-10-24	2825.12
Gas Chromatography	(6S)-NADHX_TMS_18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	2970.39
Gas Chromatography	(6S)-NADHX_TMS_19	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=C(C(=N)[O-])CC[C@@H]1O	standard non polar	2025-10-24	1948.24
Gas Chromatography	(6S)-NADHX_TMS_20	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2711.91
Gas Chromatography	(6S)-NADHX_TMS_21	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	3429.73
Gas Chromatography	(6S)-NADHX_TMS_22	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	2791.76
Gas Chromatography	(6S)-NADHX_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	1733.74
Gas Chromatography	(6S)-NADHX_TMS_24	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	3765.01
Gas Chromatography	(6S)-NADHX_TMS_25	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	976.661
Gas Chromatography	(6S)-NADHX_TMS_26	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	3020.01
Gas Chromatography	(6S)-NADHX_TMS_27	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1021.11
Gas Chromatography	(6S)-NADHX_TMS_28	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-24	2794.04
Gas Chromatography	(6S)-NADHX_TMS_29	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1764.09
Gas Chromatography	(6S)-NADHX_TMS_30	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1688.23
Gas Chromatography	(6S)-NADHX_TMS_31	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	2212.16
Gas Chromatography	(6S)-NADHX_TMS_32	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1645.77
Gas Chromatography	(6S)-NADHX_TMS_33	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2406.72
Gas Chromatography	(6S)-NADHX_TMS_34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1427.92
Gas Chromatography	(6S)-NADHX_TMS_35	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	898.358
Gas Chromatography	(6S)-NADHX_TMS_36	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard non polar	2025-10-24	1054.87
Gas Chromatography	(6S)-NADHX_TMS_37	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2190.25
Gas Chromatography	(6S)-NADHX_TMS_38	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2586.69
Gas Chromatography	(6S)-NADHX_TMS_39	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2310.6
Gas Chromatography	(6S)-NADHX_TMS_40	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2313.81
Gas Chromatography	(6S)-NADHX_TMS_41	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2122.7
Gas Chromatography	(6S)-NADHX_TMS_42	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	175.766
Gas Chromatography	(6S)-NADHX_TMS_43	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	2593.66
Gas Chromatography	(6S)-NADHX_TMS_44	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1187.3
Gas Chromatography	(6S)-NADHX_TMS_45	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1675.93
Gas Chromatography	(6S)-NADHX_TMS_46	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	2691.86
Gas Chromatography	(6S)-NADHX_TMS_47	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2055.18
Gas Chromatography	(6S)-NADHX_TMS_48	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	2239.88
Gas Chromatography	(6S)-NADHX_TMS_49	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3001.79
Gas Chromatography	(6S)-NADHX_TMS_50	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2039.63
Gas Chromatography	(6S)-NADHX_TMS_51	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	2120.18
Gas Chromatography	(6S)-NADHX_TMS_52	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	2580.5
Gas Chromatography	(6S)-NADHX_TMS_53	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2356.49
Gas Chromatography	(6S)-NADHX_TMS_54	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1153.86
Gas Chromatography	(6S)-NADHX_TMS_55	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	1211.19
Gas Chromatography	(6S)-NADHX_TMS_56	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	901.664
Gas Chromatography	(6S)-NADHX_TMS_57	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	2466.88
Gas Chromatography	(6S)-NADHX_TMS_58	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1992.46
Gas Chromatography	(6S)-NADHX_TMS_59	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard non polar	2025-10-24	3077.11
Gas Chromatography	(6S)-NADHX_TMS_60	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1696.59
Gas Chromatography	(6S)-NADHX_TMS_61	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	2302.02
Gas Chromatography	(6S)-NADHX_TMS_62	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2007.2
Gas Chromatography	(6S)-NADHX_TMS_63	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1311.6
Gas Chromatography	(6S)-NADHX_TMS_64	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	1105.57
Gas Chromatography	(6S)-NADHX_TMS_65	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2222.06
Gas Chromatography	(6S)-NADHX_TMS_66	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=C(C(=N)[O-])CC[C@@H]1O	standard non polar	2025-10-24	979.687
Gas Chromatography	(6S)-NADHX_TMS_67	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1756.77
Gas Chromatography	(6S)-NADHX_TMS_68	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	1324.58
Gas Chromatography	(6S)-NADHX_TMS_69	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1711.67
Gas Chromatography	(6S)-NADHX_TMS_70	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2524.13
Gas Chromatography	(6S)-NADHX_TMS_71	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	2086.56
Gas Chromatography	(6S)-NADHX_TMS_72	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1154.98
Gas Chromatography	(6S)-NADHX_TMS_73	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	780.751
Gas Chromatography	(6S)-NADHX_TMS_74	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]1N1C=C(C(=N)[O-])CC[C@@H]1O	standard non polar	2025-10-24	2960.16
Gas Chromatography	(6S)-NADHX_TMS_75	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard non polar	2025-10-24	807.445
Gas Chromatography	(6S)-NADHX_TMS_76	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	1661.29
Gas Chromatography	(6S)-NADHX_TMS_77	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	798.099
Gas Chromatography	(6S)-NADHX_TMS_78	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1496.33
Gas Chromatography	(6S)-NADHX_TMS_79	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	239.571
Gas Chromatography	(6S)-NADHX_TMS_80	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	3054.93
Gas Chromatography	(6S)-NADHX_TMS_81	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1724.52
Gas Chromatography	(6S)-NADHX_TMS_82	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	990.762
Gas Chromatography	(6S)-NADHX_TMS_83	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-24	1071.38
Gas Chromatography	(6S)-NADHX_TMS_84	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1994.59
Gas Chromatography	(6S)-NADHX_TMS_85	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard non polar	2025-10-24	922.234
Gas Chromatography	(6S)-NADHX_TMS_86	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2551.63
Gas Chromatography	(6S)-NADHX_TMS_87	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2352.34
Gas Chromatography	(6S)-NADHX_TMS_88	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2574.13
Gas Chromatography	(6S)-NADHX_TMS_89	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2945.89
Gas Chromatography	(6S)-NADHX_TMS_90	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1449.6
Gas Chromatography	(6S)-NADHX_TMS_91	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1393.14
Gas Chromatography	(6S)-NADHX_TMS_92	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard non polar	2025-10-24	1230.42
Gas Chromatography	(6S)-NADHX_TMS_93	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	715.171
Gas Chromatography	(6S)-NADHX_TMS_94	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2485.34
Gas Chromatography	(6S)-NADHX_TMS_95	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2321.64
Gas Chromatography	(6S)-NADHX_TMS_96	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard non polar	2025-10-24	1167.96
Gas Chromatography	(6S)-NADHX_TMS_97	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	2230.05
Gas Chromatography	(6S)-NADHX_TMS_98	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	3799.64
Gas Chromatography	(6S)-NADHX_TMS_99	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1197.5
Gas Chromatography	(6S)-NADHX_TMS_100	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard non polar	2025-10-24	1251.35
Gas Chromatography	(6S)-NADHX_TMS_1	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2768.71
Gas Chromatography	(6S)-NADHX_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]1N1C=C(C(=N)[O-])CC[C@@H]1O	standard polar	2025-10-24	2467.7
Gas Chromatography	(6S)-NADHX_TMS_3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	524.284
Gas Chromatography	(6S)-NADHX_TMS_4	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-24	1727.32
Gas Chromatography	(6S)-NADHX_TMS_5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	1314.94
Gas Chromatography	(6S)-NADHX_TMS_6	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2412.8
Gas Chromatography	(6S)-NADHX_TMS_7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1322.76
Gas Chromatography	(6S)-NADHX_TMS_8	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1701.58
Gas Chromatography	(6S)-NADHX_TMS_9	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2089.01
Gas Chromatography	(6S)-NADHX_TMS_10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	621.376
Gas Chromatography	(6S)-NADHX_TMS_11	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3048.99
Gas Chromatography	(6S)-NADHX_TMS_12	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3393.98
Gas Chromatography	(6S)-NADHX_TMS_13	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1580.9
Gas Chromatography	(6S)-NADHX_TMS_14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2361.75
Gas Chromatography	(6S)-NADHX_TMS_15	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	3582.44
Gas Chromatography	(6S)-NADHX_TMS_16	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3359.55
Gas Chromatography	(6S)-NADHX_TMS_17	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]1N1C=C(C(=N)[O-])CC[C@@H]1O	standard polar	2025-10-24	3252.36
Gas Chromatography	(6S)-NADHX_TMS_18	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	1093.99
Gas Chromatography	(6S)-NADHX_TMS_19	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=C(C(=N)[O-])CC[C@@H]1O	standard polar	2025-10-24	2935.04
Gas Chromatography	(6S)-NADHX_TMS_20	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1642.8
Gas Chromatography	(6S)-NADHX_TMS_21	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	2504.72
Gas Chromatography	(6S)-NADHX_TMS_22	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	191.738
Gas Chromatography	(6S)-NADHX_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	2029.6
Gas Chromatography	(6S)-NADHX_TMS_24	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	842.733
Gas Chromatography	(6S)-NADHX_TMS_25	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1054.29
Gas Chromatography	(6S)-NADHX_TMS_26	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1255.91
Gas Chromatography	(6S)-NADHX_TMS_27	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	727.134
Gas Chromatography	(6S)-NADHX_TMS_28	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-24	2631.54
Gas Chromatography	(6S)-NADHX_TMS_29	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2531.85
Gas Chromatography	(6S)-NADHX_TMS_30	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	777.017
Gas Chromatography	(6S)-NADHX_TMS_31	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	3696.66
Gas Chromatography	(6S)-NADHX_TMS_32	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2408.93
Gas Chromatography	(6S)-NADHX_TMS_33	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	569.867
Gas Chromatography	(6S)-NADHX_TMS_34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2585.4
Gas Chromatography	(6S)-NADHX_TMS_35	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2173.88
Gas Chromatography	(6S)-NADHX_TMS_36	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard polar	2025-10-24	2485.92
Gas Chromatography	(6S)-NADHX_TMS_37	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1548.36
Gas Chromatography	(6S)-NADHX_TMS_38	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	3033.55
Gas Chromatography	(6S)-NADHX_TMS_39	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1611.79
Gas Chromatography	(6S)-NADHX_TMS_40	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1425.17
Gas Chromatography	(6S)-NADHX_TMS_41	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2072.51
Gas Chromatography	(6S)-NADHX_TMS_42	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2691.0
Gas Chromatography	(6S)-NADHX_TMS_43	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	2016.36
Gas Chromatography	(6S)-NADHX_TMS_44	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	2640.63
Gas Chromatography	(6S)-NADHX_TMS_45	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1325.19
Gas Chromatography	(6S)-NADHX_TMS_46	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	1097.57
Gas Chromatography	(6S)-NADHX_TMS_47	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	3418.29
Gas Chromatography	(6S)-NADHX_TMS_48	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	2261.26
Gas Chromatography	(6S)-NADHX_TMS_49	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2465.35
Gas Chromatography	(6S)-NADHX_TMS_50	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	5155.63
Gas Chromatography	(6S)-NADHX_TMS_51	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2400.84
Gas Chromatography	(6S)-NADHX_TMS_52	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	1971.37
Gas Chromatography	(6S)-NADHX_TMS_53	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2300.15
Gas Chromatography	(6S)-NADHX_TMS_54	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2734.66
Gas Chromatography	(6S)-NADHX_TMS_55	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	1890.19
Gas Chromatography	(6S)-NADHX_TMS_56	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1412.27
Gas Chromatography	(6S)-NADHX_TMS_57	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	2204.68
Gas Chromatography	(6S)-NADHX_TMS_58	C[Si](C)(C)O[C@H]1CCC(C(=N)[O-])=CN1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	2938.29
Gas Chromatography	(6S)-NADHX_TMS_59	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)CC1	standard polar	2025-10-24	1996.78
Gas Chromatography	(6S)-NADHX_TMS_60	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2296.82
Gas Chromatography	(6S)-NADHX_TMS_61	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	2478.73
Gas Chromatography	(6S)-NADHX_TMS_62	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1988.53
Gas Chromatography	(6S)-NADHX_TMS_63	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1853.26
Gas Chromatography	(6S)-NADHX_TMS_64	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	523.966
Gas Chromatography	(6S)-NADHX_TMS_65	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	846.093
Gas Chromatography	(6S)-NADHX_TMS_66	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=C(C(=N)[O-])CC[C@@H]1O	standard polar	2025-10-24	3265.44
Gas Chromatography	(6S)-NADHX_TMS_67	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1419.45
Gas Chromatography	(6S)-NADHX_TMS_68	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	3339.29
Gas Chromatography	(6S)-NADHX_TMS_69	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	2775.03
Gas Chromatography	(6S)-NADHX_TMS_70	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1928.76
Gas Chromatography	(6S)-NADHX_TMS_71	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	1263.71
Gas Chromatography	(6S)-NADHX_TMS_72	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1248.3
Gas Chromatography	(6S)-NADHX_TMS_73	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	1631.71
Gas Chromatography	(6S)-NADHX_TMS_74	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]1N1C=C(C(=N)[O-])CC[C@@H]1O	standard polar	2025-10-24	2763.83
Gas Chromatography	(6S)-NADHX_TMS_75	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)CC1	standard polar	2025-10-24	1045.03
Gas Chromatography	(6S)-NADHX_TMS_76	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	3310.28
Gas Chromatography	(6S)-NADHX_TMS_77	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	1167.06
Gas Chromatography	(6S)-NADHX_TMS_78	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2286.24
Gas Chromatography	(6S)-NADHX_TMS_79	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1806.03
Gas Chromatography	(6S)-NADHX_TMS_80	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	3849.52
Gas Chromatography	(6S)-NADHX_TMS_81	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1168.82
Gas Chromatography	(6S)-NADHX_TMS_82	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	3882.16
Gas Chromatography	(6S)-NADHX_TMS_83	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-24	1782.72
Gas Chromatography	(6S)-NADHX_TMS_84	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2092.27
Gas Chromatography	(6S)-NADHX_TMS_85	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@@H]1O	standard polar	2025-10-24	3576.83
Gas Chromatography	(6S)-NADHX_TMS_86	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1674.49
Gas Chromatography	(6S)-NADHX_TMS_87	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2206.22
Gas Chromatography	(6S)-NADHX_TMS_88	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1449.94
Gas Chromatography	(6S)-NADHX_TMS_89	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1660.91
Gas Chromatography	(6S)-NADHX_TMS_90	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2628.84
Gas Chromatography	(6S)-NADHX_TMS_91	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	3070.94
Gas Chromatography	(6S)-NADHX_TMS_92	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard polar	2025-10-24	2195.93
Gas Chromatography	(6S)-NADHX_TMS_93	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O[Si](C)(C)C)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2542.98
Gas Chromatography	(6S)-NADHX_TMS_94	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	3325.69
Gas Chromatography	(6S)-NADHX_TMS_95	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	2171.43
Gas Chromatography	(6S)-NADHX_TMS_96	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C(=N)[O-])CC[C@@H]3O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard polar	2025-10-24	3725.46
Gas Chromatography	(6S)-NADHX_TMS_97	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1378.62
Gas Chromatography	(6S)-NADHX_TMS_98	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=C(C(=N)[O-])CC[C@@H]2O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1754.93
Gas Chromatography	(6S)-NADHX_TMS_99	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(OC[C@H]3O[C@@H](N4C=NC5=C(N[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	1095.95
Gas Chromatography	(6S)-NADHX_TMS_100	C[Si](C)(C)N=C([O-])C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)CC1	standard polar	2025-10-24	937.515

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites
Eukaryota/Fungi	Ascomycota	12
Eukaryota/Fungi	Chytridiomycota	1
Eukaryota/Fungi	Basidiomycota	4
Bacteria/Eubacteria	Aquificae	1
Archaea/Archaea	Euryarchaeota	7
Bacteria/Eubacteria	Actinobacteria	7	Human
Bacteria/Eubacteria	Proteobacteria	20	Human ; Human feces; Human sputum
Bacteria/Eubacteria	Dictyoglomi	1
Bacteria	Proteobacteria	1	Human ; Human feces; Human sputum
Bacteria/Eubacteria	Cyanobacteria	2
Archaea/Archaea	Crenarchaeota	3
Archaea/Archaea	Korarchaeota	1
Bacteria/Eubacteria	Firmicutes	24	Human ; Human feces
Bacteria/Eubacteria	Bacteroidetes	2
Bacteria	nah	1
Bacteria/Eubacteria	Synergistetes	1
Bacteria/Eubacteria	Thermotogae	1
Bacteria/Eubacteria	Nitrospirae	1
Archaea/Archaea	Thaumarchaeota	2
Bacteria/Eubacteria	Chloroflexi	1
Bacteria/Eubacteria	Elusimicrobia	1
Bacteria/Eubacteria	Planctomycetes	5	Human feces
Bacteria/Eubacteria	Deinococcus-thermus	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

27471369

KEGG Compound ID

Not Available

BioCyc ID

CPD-653

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25203523

PDB ID

Not Available

ChEBI ID

64074

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for (6S)-NADHX (MMDBc0054980)

MOL for #<Metabolite:0x00007f2df4785248>

3D MOL for #<Metabolite:0x00007f2df4785248>

3D SDF for #<Metabolite:0x00007f2df4785248>

3D-SDF for #<Metabolite:0x00007f2df4785248>

PDB for #<Metabolite:0x00007f2df4785248>

3D PDB for #<Metabolite:0x00007f2df4785248>

SMILES for #<Metabolite:0x00007f2df4785248>

INCHI for #<Metabolite:0x00007f2df4785248>

Structure for #<Metabolite:0x00007f2df4785248>

3D Structure for #<Metabolite:0x00007f2df4785248>