MiMeDB: Showing metabocard for PI(16:0/0:0) (MMDBc0033303)

Microbial

Human

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:43:09 UTC

Update Date

2025-10-07 16:07:58 UTC

Metabolite ID

MMDBc0033303

Metabolite Identification

Common Name

PI(16:0/0:0)

Description

PI(16:0/0:0) is a phosphatidylinositol, a class of phospholipids that play crucial roles in cellular signaling and membrane dynamics. There is limited literature available on this specific metabolite, indicating that further research may be necessary to fully understand its biological significance and potential applications.

Structure

MOL SDF PDB SMILES InChI

PI(16:0/0:0)
  Mrv1652309201800062D          

 39 39  0  0  0  0            999 V2000
   -2.6339    0.3607    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3441    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0543    0.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2235   -0.3495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0443   -0.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9236    0.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2134    0.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    0.6438    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3853    0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    1.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5043   -0.1685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8092    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161   -0.1685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7898    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    0.7974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053    1.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630    1.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0242    0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4744    0.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7644    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7644    1.5409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4786    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1927    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9068    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6209    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3351    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0492    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7633    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4774    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1915    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9057    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6198    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3339    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0480    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7621    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4763    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 23  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 15  1  1  0  0  0
 14 15  1  1  0  0  0
 13 18  1  0  0  0  0
  8 14  1  0  0  0  0
 15 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
  7  9  1  0  0  0  0
  1  5  1  6  0  0  0
  1  4  1  1  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END

PI(16:0/0:0)
  Mrv1652309201800062D          

 39 39  0  0  0  0            999 V2000
   -2.6339    0.3607    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3441    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0543    0.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2235   -0.3495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0443   -0.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9236    0.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2134    0.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    0.6438    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3853    0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    1.3915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5043   -0.1685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8092    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161   -0.1685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7898    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    0.7974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053    1.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630    1.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0242    0.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4744    0.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7644    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7644    1.5409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4786    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1927    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9068    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6209    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3351    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0492    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7633    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4774    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1915    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9057    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6198    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3339    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0480    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7621    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4763    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 23  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 15  1  1  0  0  0
 14 15  1  1  0  0  0
 13 18  1  0  0  0  0
  8 14  1  0  0  0  0
 15 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
  7  9  1  0  0  0  0
  1  5  1  6  0  0  0
  1  4  1  1  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033303

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)/t18-,20?,21-,22?,23?,24?,25-/m1/s1

> <INCHI_KEY>
UOXRPRZMAROFPH-IOHPDQHLSA-N

> <FORMULA>
C25H49O12P

> <MOLECULAR_WEIGHT>
572.6231

> <EXACT_MASS>
572.296163544

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
62.53097137579009

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-3-(hexadecanoyloxy)-2-hydroxypropoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

> <ALOGPS_LOGP>
2.31

> <JCHEM_LOGP>
2.0730019876666663

> <ALOGPS_LOGS>
-3.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.339055972873329

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8335386408406524

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4040034470113856

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999997

> <JCHEM_REFRACTIVITY>
136.9764

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.09e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-(hexadecanoyloxy)-2-hydroxypropoxy([(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-SEP-18   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: PI(16:0/0:0)                                      
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-SEP-18         0                                  
HETATM    1  C   UNK     0      -4.917   0.673   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.242   1.436   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -7.568   0.673   0.000  0.00  0.00           O+0
HETATM    4  H   UNK     0      -4.151  -0.652   0.000  0.00  0.00           H+0
HETATM    5  O   UNK     0      -5.683  -0.652   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -3.591   1.439   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.265   0.673   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       1.352   0.634   0.000  0.00  0.00           O+0
HETATM    9  P   UNK     0      -0.044   1.202   0.000  0.00  0.00           P+0
HETATM   10  O   UNK     0      -0.719   0.031   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -0.044   2.598   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.505   1.235   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.072   1.885   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.808  -0.315   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.244   0.342   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.683  -0.315   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.941   1.885   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.593   1.488   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.236   2.282   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       7.398   2.342   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       9.379   0.241   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      10.219   1.562   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -8.894   1.436   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -8.894   2.876   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0     -10.227   0.665   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -11.560   1.436   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -12.893   0.665   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -14.226   1.436   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -15.559   0.665   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -16.892   1.436   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -18.225   0.665   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -19.558   1.436   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -20.891   0.665   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -22.224   1.436   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -23.557   0.665   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -24.890   1.436   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -26.223   0.665   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -27.556   1.436   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -28.889   0.665   0.000  0.00  0.00           C+0
CONECT    1    2    6    5    4                                             
CONECT    2    1    3                                                       
CONECT    3    2   23                                                       
CONECT    4    1                                                            
CONECT    5    1                                                            
CONECT    6    1    7                                                       
CONECT    7    6    9                                                       
CONECT    8    9   14                                                       
CONECT    9    8   10   11    7                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12   13   17   20                                                  
CONECT   13   12   14   18                                                  
CONECT   14   13   15    8                                                  
CONECT   15   16   14   19                                                  
CONECT   16   17   15   21                                                  
CONECT   17   12   16   22                                                  
CONECT   18   13                                                            
CONECT   19   15                                                            
CONECT   20   12                                                            
CONECT   21   16                                                            
CONECT   22   17                                                            
CONECT   23    3   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   78    0
END

Synonyms

Not Available

Molecular Formula

C₂₅H₄₉O₁₂P

Average Mass

572.6231

Monoisotopic Mass

572.296163544

IUPAC Name

[(2R)-3-(hexadecanoyloxy)-2-hydroxypropoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

Traditional Name

(2R)-3-(hexadecanoyloxy)-2-hydroxypropoxy([(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O

InChI Identifier

InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)/t18-,20?,21-,22?,23?,24?,25-/m1/s1

InChI Key

UOXRPRZMAROFPH-IOHPDQHLSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-acyl-sn-glycerol-3-phosphoinositols. These are glycerophosphoinositols where the glycerol is acylated only at position O-1 with a fatty acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphoinositols

Direct Parent

1-acyl-sn-glycerol-3-phosphoinositols

Alternative Parents

Substituents

1-acyl-sn-glycerol-3-phosphoinositol
Inositol phosphate
Dialkyl phosphate
Cyclohexanol
Fatty acid ester
Cyclitol or derivatives
Fatty acyl
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Cyclic alcohol
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Polyol
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organic oxide
Alcohol
Organooxygen compound
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Monoacylglycerophosphoinositols (LMGP06050002 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.21 g/L	ALOGPS
logP	2.31	ALOGPS
logP	2.07	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	1.83	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	203.44 Å²	ChemAxon
Rotatable Bond Count	22	ChemAxon
Refractivity	136.98 m³·mol⁻¹	ChemAxon
Polarizability	62.53 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_27) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-08mr-1587290000-a818d4c05fd0231239d8	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0bti-2294010000-7ebb451b4e5751fbed89	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-6921000000-d09ceae851b37dabddda	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0abi-0092040000-9d4b675d2bec007e0cea	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-3191010000-fbcb12c131a1edd750a6	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9030000000-3e7cb30ab77ff62e3afd	2019-02-23	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum

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 (void)	2025-10-24	495.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (void)	2025-10-24	148.0
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	567.8
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	614.2
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	494.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	172.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (retained)	2025-10-24	2441.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	576.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	273.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	309.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	60.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	181.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	155.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	175.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	294.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	234.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	387.1
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1218.9
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	1027.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	PI(16:0/0:0)_TMS_1	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2626.57
Gas Chromatography	PI(16:0/0:0)_TMS_2	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O	standard non polar	2025-10-24	3022.38
Gas Chromatography	PI(16:0/0:0)_TMS_3	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard non polar	2025-10-24	1418.58
Gas Chromatography	PI(16:0/0:0)_TMS_4	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	3320.49
Gas Chromatography	PI(16:0/0:0)_TMS_5	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	1166.8
Gas Chromatography	PI(16:0/0:0)_TMS_6	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2347.84
Gas Chromatography	PI(16:0/0:0)_TMS_7	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2716.43
Gas Chromatography	PI(16:0/0:0)_TMS_8	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1645.62
Gas Chromatography	PI(16:0/0:0)_TMS_9	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1100.52
Gas Chromatography	PI(16:0/0:0)_TMS_10	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1590.75
Gas Chromatography	PI(16:0/0:0)_TMS_11	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2426.74
Gas Chromatography	PI(16:0/0:0)_TMS_12	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1113.77
Gas Chromatography	PI(16:0/0:0)_TMS_13	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2461.62
Gas Chromatography	PI(16:0/0:0)_TMS_14	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard non polar	2025-10-24	3849.94
Gas Chromatography	PI(16:0/0:0)_TMS_15	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	2506.08
Gas Chromatography	PI(16:0/0:0)_TMS_16	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	1760.29
Gas Chromatography	PI(16:0/0:0)_TMS_17	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1840.15
Gas Chromatography	PI(16:0/0:0)_TMS_18	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1503.65
Gas Chromatography	PI(16:0/0:0)_TMS_19	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	2008.26
Gas Chromatography	PI(16:0/0:0)_TMS_20	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2785.81
Gas Chromatography	PI(16:0/0:0)_TMS_21	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1352.05
Gas Chromatography	PI(16:0/0:0)_TMS_22	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2121.16
Gas Chromatography	PI(16:0/0:0)_TMS_23	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	1513.05
Gas Chromatography	PI(16:0/0:0)_TMS_24	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	710.455
Gas Chromatography	PI(16:0/0:0)_TMS_25	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2182.17
Gas Chromatography	PI(16:0/0:0)_TMS_26	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2993.91
Gas Chromatography	PI(16:0/0:0)_TMS_27	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2221.25
Gas Chromatography	PI(16:0/0:0)_TMS_28	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1862.59
Gas Chromatography	PI(16:0/0:0)_TMS_29	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2302.83
Gas Chromatography	PI(16:0/0:0)_TMS_30	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2735.71
Gas Chromatography	PI(16:0/0:0)_TMS_31	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	657.002
Gas Chromatography	PI(16:0/0:0)_TMS_32	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2244.4
Gas Chromatography	PI(16:0/0:0)_TMS_33	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	747.288
Gas Chromatography	PI(16:0/0:0)_TMS_34	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2256.81
Gas Chromatography	PI(16:0/0:0)_TMS_35	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2289.42
Gas Chromatography	PI(16:0/0:0)_TMS_36	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2584.33
Gas Chromatography	PI(16:0/0:0)_TMS_37	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1265.67
Gas Chromatography	PI(16:0/0:0)_TMS_38	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1297.57
Gas Chromatography	PI(16:0/0:0)_TMS_39	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1270.65
Gas Chromatography	PI(16:0/0:0)_TMS_40	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1593.59
Gas Chromatography	PI(16:0/0:0)_TMS_41	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2265.9
Gas Chromatography	PI(16:0/0:0)_TMS_42	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	853.747
Gas Chromatography	PI(16:0/0:0)_TMS_43	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2589.41
Gas Chromatography	PI(16:0/0:0)_TMS_44	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	2368.71
Gas Chromatography	PI(16:0/0:0)_TMS_45	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2471.98
Gas Chromatography	PI(16:0/0:0)_TMS_46	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	3638.25
Gas Chromatography	PI(16:0/0:0)_TMS_47	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1349.23
Gas Chromatography	PI(16:0/0:0)_TMS_48	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2486.99
Gas Chromatography	PI(16:0/0:0)_TMS_49	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1924.81
Gas Chromatography	PI(16:0/0:0)_TMS_50	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	684.241
Gas Chromatography	PI(16:0/0:0)_TMS_51	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2832.61
Gas Chromatography	PI(16:0/0:0)_TMS_52	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2722.87
Gas Chromatography	PI(16:0/0:0)_TMS_53	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1153.27
Gas Chromatography	PI(16:0/0:0)_TMS_54	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	1441.23
Gas Chromatography	PI(16:0/0:0)_TMS_55	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2830.65
Gas Chromatography	PI(16:0/0:0)_TMS_56	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1606.39
Gas Chromatography	PI(16:0/0:0)_TMS_57	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2414.88
Gas Chromatography	PI(16:0/0:0)_TMS_58	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	380.266
Gas Chromatography	PI(16:0/0:0)_TMS_59	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2032.22
Gas Chromatography	PI(16:0/0:0)_TMS_60	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2322.7
Gas Chromatography	PI(16:0/0:0)_TMS_61	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1901.89
Gas Chromatography	PI(16:0/0:0)_TMS_62	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2464.57
Gas Chromatography	PI(16:0/0:0)_TMS_63	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1583.79
Gas Chromatography	PI(16:0/0:0)_TMS_64	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2351.07
Gas Chromatography	PI(16:0/0:0)_TMS_65	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1096.73
Gas Chromatography	PI(16:0/0:0)_TMS_66	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	-212.859
Gas Chromatography	PI(16:0/0:0)_TMS_67	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	218.916
Gas Chromatography	PI(16:0/0:0)_TMS_68	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1754.41
Gas Chromatography	PI(16:0/0:0)_TMS_69	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2433.14
Gas Chromatography	PI(16:0/0:0)_TMS_70	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2913.01
Gas Chromatography	PI(16:0/0:0)_TMS_71	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2663.52
Gas Chromatography	PI(16:0/0:0)_TMS_72	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1359.04
Gas Chromatography	PI(16:0/0:0)_TMS_73	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	943.971
Gas Chromatography	PI(16:0/0:0)_TMS_74	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	3625.17
Gas Chromatography	PI(16:0/0:0)_TMS_75	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	738.486
Gas Chromatography	PI(16:0/0:0)_TMS_76	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1910.66
Gas Chromatography	PI(16:0/0:0)_TMS_77	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2047.57
Gas Chromatography	PI(16:0/0:0)_TMS_78	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2204.62
Gas Chromatography	PI(16:0/0:0)_TMS_79	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3022.51
Gas Chromatography	PI(16:0/0:0)_TMS_80	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2584.05
Gas Chromatography	PI(16:0/0:0)_TMS_81	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2322.13
Gas Chromatography	PI(16:0/0:0)_TMS_82	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2191.03
Gas Chromatography	PI(16:0/0:0)_TMS_83	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1731.48
Gas Chromatography	PI(16:0/0:0)_TMS_84	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2060.89
Gas Chromatography	PI(16:0/0:0)_TMS_85	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1720.66
Gas Chromatography	PI(16:0/0:0)_TMS_86	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1938.89
Gas Chromatography	PI(16:0/0:0)_TMS_87	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1427.46
Gas Chromatography	PI(16:0/0:0)_TMS_88	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1369.58
Gas Chromatography	PI(16:0/0:0)_TMS_89	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1749.63
Gas Chromatography	PI(16:0/0:0)_TMS_90	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2250.6
Gas Chromatography	PI(16:0/0:0)_TMS_91	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1399.31
Gas Chromatography	PI(16:0/0:0)_TMS_92	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2987.01
Gas Chromatography	PI(16:0/0:0)_TMS_93	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3068.73
Gas Chromatography	PI(16:0/0:0)_TMS_94	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1305.87
Gas Chromatography	PI(16:0/0:0)_TMS_95	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2864.17
Gas Chromatography	PI(16:0/0:0)_TMS_96	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2421.63
Gas Chromatography	PI(16:0/0:0)_TMS_97	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1914.29
Gas Chromatography	PI(16:0/0:0)_TMS_98	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2455.06
Gas Chromatography	PI(16:0/0:0)_TMS_1	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2370.26
Gas Chromatography	PI(16:0/0:0)_TMS_2	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O	standard polar	2025-10-24	1300.5
Gas Chromatography	PI(16:0/0:0)_TMS_3	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard polar	2025-10-24	1343.42
Gas Chromatography	PI(16:0/0:0)_TMS_4	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	1449.44
Gas Chromatography	PI(16:0/0:0)_TMS_5	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	2143.86
Gas Chromatography	PI(16:0/0:0)_TMS_6	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	1909.14
Gas Chromatography	PI(16:0/0:0)_TMS_7	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1268.29
Gas Chromatography	PI(16:0/0:0)_TMS_8	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	549.818
Gas Chromatography	PI(16:0/0:0)_TMS_9	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1573.3
Gas Chromatography	PI(16:0/0:0)_TMS_10	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	3154.58
Gas Chromatography	PI(16:0/0:0)_TMS_11	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1337.34
Gas Chromatography	PI(16:0/0:0)_TMS_12	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1676.42
Gas Chromatography	PI(16:0/0:0)_TMS_13	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1168.17
Gas Chromatography	PI(16:0/0:0)_TMS_14	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard polar	2025-10-24	3484.02
Gas Chromatography	PI(16:0/0:0)_TMS_15	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	1141.62
Gas Chromatography	PI(16:0/0:0)_TMS_16	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	2486.49
Gas Chromatography	PI(16:0/0:0)_TMS_17	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	1953.22
Gas Chromatography	PI(16:0/0:0)_TMS_18	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1363.2
Gas Chromatography	PI(16:0/0:0)_TMS_19	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	1035.45
Gas Chromatography	PI(16:0/0:0)_TMS_20	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	2802.45
Gas Chromatography	PI(16:0/0:0)_TMS_21	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2602.07
Gas Chromatography	PI(16:0/0:0)_TMS_22	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2336.79
Gas Chromatography	PI(16:0/0:0)_TMS_23	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	3118.25
Gas Chromatography	PI(16:0/0:0)_TMS_24	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2530.14
Gas Chromatography	PI(16:0/0:0)_TMS_25	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	3062.82
Gas Chromatography	PI(16:0/0:0)_TMS_26	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2361.3
Gas Chromatography	PI(16:0/0:0)_TMS_27	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1864.34
Gas Chromatography	PI(16:0/0:0)_TMS_28	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2725.25
Gas Chromatography	PI(16:0/0:0)_TMS_29	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1365.65
Gas Chromatography	PI(16:0/0:0)_TMS_30	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	3020.61
Gas Chromatography	PI(16:0/0:0)_TMS_31	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1939.96
Gas Chromatography	PI(16:0/0:0)_TMS_32	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1483.78
Gas Chromatography	PI(16:0/0:0)_TMS_33	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1005.11
Gas Chromatography	PI(16:0/0:0)_TMS_34	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2208.82
Gas Chromatography	PI(16:0/0:0)_TMS_35	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1710.86
Gas Chromatography	PI(16:0/0:0)_TMS_36	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	686.154
Gas Chromatography	PI(16:0/0:0)_TMS_37	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1898.6
Gas Chromatography	PI(16:0/0:0)_TMS_38	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1283.37
Gas Chromatography	PI(16:0/0:0)_TMS_39	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2227.18
Gas Chromatography	PI(16:0/0:0)_TMS_40	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1765.52
Gas Chromatography	PI(16:0/0:0)_TMS_41	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1179.04
Gas Chromatography	PI(16:0/0:0)_TMS_42	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3029.37
Gas Chromatography	PI(16:0/0:0)_TMS_43	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2601.57
Gas Chromatography	PI(16:0/0:0)_TMS_44	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	2911.33
Gas Chromatography	PI(16:0/0:0)_TMS_45	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	2981.06
Gas Chromatography	PI(16:0/0:0)_TMS_46	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	1485.1
Gas Chromatography	PI(16:0/0:0)_TMS_47	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2624.69
Gas Chromatography	PI(16:0/0:0)_TMS_48	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	3482.61
Gas Chromatography	PI(16:0/0:0)_TMS_49	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2104.27
Gas Chromatography	PI(16:0/0:0)_TMS_50	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2177.94
Gas Chromatography	PI(16:0/0:0)_TMS_51	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2002.05
Gas Chromatography	PI(16:0/0:0)_TMS_52	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2912.46
Gas Chromatography	PI(16:0/0:0)_TMS_53	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2173.23
Gas Chromatography	PI(16:0/0:0)_TMS_54	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	2222.94
Gas Chromatography	PI(16:0/0:0)_TMS_55	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	1463.21
Gas Chromatography	PI(16:0/0:0)_TMS_56	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2153.33
Gas Chromatography	PI(16:0/0:0)_TMS_57	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2331.3
Gas Chromatography	PI(16:0/0:0)_TMS_58	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1706.37
Gas Chromatography	PI(16:0/0:0)_TMS_59	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1913.93
Gas Chromatography	PI(16:0/0:0)_TMS_60	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2172.14
Gas Chromatography	PI(16:0/0:0)_TMS_61	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2836.08
Gas Chromatography	PI(16:0/0:0)_TMS_62	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1059.16
Gas Chromatography	PI(16:0/0:0)_TMS_63	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2106.34
Gas Chromatography	PI(16:0/0:0)_TMS_64	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2973.25
Gas Chromatography	PI(16:0/0:0)_TMS_65	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	3391.69
Gas Chromatography	PI(16:0/0:0)_TMS_66	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2511.34
Gas Chromatography	PI(16:0/0:0)_TMS_67	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	597.473
Gas Chromatography	PI(16:0/0:0)_TMS_68	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2421.06
Gas Chromatography	PI(16:0/0:0)_TMS_69	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3219.07
Gas Chromatography	PI(16:0/0:0)_TMS_70	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2178.7
Gas Chromatography	PI(16:0/0:0)_TMS_71	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1219.22
Gas Chromatography	PI(16:0/0:0)_TMS_72	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	168.984
Gas Chromatography	PI(16:0/0:0)_TMS_73	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1343.2
Gas Chromatography	PI(16:0/0:0)_TMS_74	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1853.42
Gas Chromatography	PI(16:0/0:0)_TMS_75	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1489.75
Gas Chromatography	PI(16:0/0:0)_TMS_76	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3985.86
Gas Chromatography	PI(16:0/0:0)_TMS_77	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2604.7
Gas Chromatography	PI(16:0/0:0)_TMS_78	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3007.87
Gas Chromatography	PI(16:0/0:0)_TMS_79	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2341.49
Gas Chromatography	PI(16:0/0:0)_TMS_80	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1795.28
Gas Chromatography	PI(16:0/0:0)_TMS_81	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3011.1
Gas Chromatography	PI(16:0/0:0)_TMS_82	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2599.93
Gas Chromatography	PI(16:0/0:0)_TMS_83	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2729.06
Gas Chromatography	PI(16:0/0:0)_TMS_84	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	3284.81
Gas Chromatography	PI(16:0/0:0)_TMS_85	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	-124.27
Gas Chromatography	PI(16:0/0:0)_TMS_86	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2864.2
Gas Chromatography	PI(16:0/0:0)_TMS_87	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1554.62
Gas Chromatography	PI(16:0/0:0)_TMS_88	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2729.37
Gas Chromatography	PI(16:0/0:0)_TMS_89	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3390.44
Gas Chromatography	PI(16:0/0:0)_TMS_90	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	3510.29
Gas Chromatography	PI(16:0/0:0)_TMS_91	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2622.73
Gas Chromatography	PI(16:0/0:0)_TMS_92	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2950.98
Gas Chromatography	PI(16:0/0:0)_TMS_93	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3128.37
Gas Chromatography	PI(16:0/0:0)_TMS_94	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1567.1
Gas Chromatography	PI(16:0/0:0)_TMS_95	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	296.99
Gas Chromatography	PI(16:0/0:0)_TMS_96	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3651.9
Gas Chromatography	PI(16:0/0:0)_TMS_97	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2442.66
Gas Chromatography	PI(16:0/0:0)_TMS_98	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2505.92

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

This table shows at most 5 pathways. For the full list of associated pathways:

See All Associated Bacterial Pathways

Name	SMPDB/PathBank	Species
phosphatidylinositol (PI(16:0/16:1(11Z))) Biosynthesis
phosphatidylinositol (PI(16:0/16:1(9Z))) Biosynthesis
phosphatidylinositol (PI(16:0/18:1(11Z))) Biosynthesis
phosphatidylinositol (PI(16:0/18:1(9Z))) Biosynthesis
phosphatidylinositol (PI(16:0/18:2(9Z,12Z))) Biosynthesis

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	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Ejsing CS, Sampaio JL, Surendranath V, Duchoslav E, Ekroos K, Klemm RW, Simons K, Shevchenko A: Global analysis of the yeast lipidome by quantitative shotgun mass spectrometry. Proc Natl Acad Sci U S A. 2009 Feb 17;106(7):2136-41. doi: 10.1073/pnas.0811700106. Epub 2009 Jan 27. [PubMed:19174513 ]

Showing metabocard for PI(16:0/0:0) (MMDBc0033303)

MOL for #<Metabolite:0x00007f9ada4bea70>

3D MOL for #<Metabolite:0x00007f9ada4bea70>

3D SDF for #<Metabolite:0x00007f9ada4bea70>

3D-SDF for #<Metabolite:0x00007f9ada4bea70>

PDB for #<Metabolite:0x00007f9ada4bea70>

3D PDB for #<Metabolite:0x00007f9ada4bea70>

SMILES for #<Metabolite:0x00007f9ada4bea70>

INCHI for #<Metabolite:0x00007f9ada4bea70>

Structure for #<Metabolite:0x00007f9ada4bea70>

3D Structure for #<Metabolite:0x00007f9ada4bea70>