MiMeDB: Showing metabocard for 6-phospho-2-dehydro-D-gluconic acid (MMDBc0033159)

Microbial

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:37:06 UTC

Update Date

2025-10-07 16:07:56 UTC

Metabolite ID

MMDBc0033159

Metabolite Identification

Common Name

6-phospho-2-dehydro-D-gluconic acid

Description

6-phospho-2-dehydro-D-gluconic acid is a carbohydrate metabolite belonging to the class of sugar acids. There is limited literature available on this metabolite, indicating that further research may be needed to fully understand its biological significance and functions.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241222382D          

 17 16  0  0  1  0            999 V2000
    1.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  1  0  0  0
  2  3  1  0  0  0  0
  3  8  1  6  0  0  0
  3  4  1  0  0  0  0
  4  9  1  6  0  0  0
  4  5  1  0  0  0  0
  5 10  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
 13 16  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033159

> <DATABASE_NAME>
MIME

> <SMILES>
O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)C(=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-4,7-9H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+/m1/s1

> <INCHI_KEY>
ZKUSPPOKDDRMIU-JJYYJPOSSA-N

> <FORMULA>
C6H11O10P

> <MOLECULAR_WEIGHT>
274.1193

> <EXACT_MASS>
274.008983084

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
20.837690653131133

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-(phosphonooxy)hexanoic acid

> <ALOGPS_LOGP>
-2.28

> <JCHEM_LOGP>
-2.6137557323333334

> <ALOGPS_LOGS>
-1.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.7908724855368914

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4634723290194778

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5451291846761714

> <JCHEM_POLAR_SURFACE_AREA>
181.81999999999996

> <JCHEM_REFRACTIVITY>
48.52739999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.81e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-(phosphonooxy)hexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668   0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.336   0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       5.335  -1.540   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       8.002  -1.540   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      10.669   0.000   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.334   0.770   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -1.334   0.770   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.000  -1.540   0.000  0.00  0.00           O+0
HETATM   16  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   17  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
CONECT    1    2   13                                                       
CONECT    2    1    7    3                                                  
CONECT    3    2    8    4                                                  
CONECT    4    3    9    5                                                  
CONECT    5    4   10    6                                                  
CONECT    6    5   11   12                                                  
CONECT    7    2                                                            
CONECT    8    3                                                            
CONECT    9    4                                                            
CONECT   10    5                                                            
CONECT   11    6                                                            
CONECT   12    6                                                            
CONECT   13    1   16                                                       
CONECT   14   16                                                            
CONECT   15   16                                                            
CONECT   16   13   14   15   17                                             
CONECT   17   16                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   32    0
END

Synonyms

Value	Source
2-Dehydro-D-gluconate 6-phosphate	ChEBI
6-O-Phosphono-D-fructosonic acid	ChEBI
6-Phospho-2-dehydro-D-gluconate	ChEBI
2-Dehydro-D-gluconic acid 6-phosphoric acid	Generator
6-O-Phosphono-D-fructosonate	Generator
6-Phospho-2-dehydro-D-gluconic acid	Generator
Gluconic acid 6-phosphoric acid	Generator

Molecular Formula

C₆H₁₁O₁₀P

Average Mass

274.1193

Monoisotopic Mass

274.008983084

IUPAC Name

(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-(phosphonooxy)hexanoic acid

Traditional Name

(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-(phosphonooxy)hexanoic acid

CAS Registry Number

Not Available

SMILES

O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)C(=O)C(O)=O

InChI Identifier

InChI=1S/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-4,7-9H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+/m1/s1

InChI Key

ZKUSPPOKDDRMIU-JJYYJPOSSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexose phosphates

Alternative Parents

Substituents

Hexose phosphate
Monosaccharide phosphate
Medium-chain keto acid
Beta-hydroxy acid
Monoalkyl phosphate
Acyloin
Alpha-keto acid
Beta-hydroxy ketone
Hydroxy acid
Keto acid
Alkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alpha-hydroxy ketone
Ketone
Secondary alcohol
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Polyol
Alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

ketoaldonic acid phosphate (CHEBI:2229 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	18.1 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-2.6	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	1.46	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	181.82 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	48.53 m³·mol⁻¹	ChemAxon
Polarizability	20.84 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	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 (Non-derivatized) - 70eV, Positive	splash10-052b-9410000000-15e516a6eb4528df2e55	2016-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-056r-1590000000-473049a8ab212babee28	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4m-5920000000-5d8d2e96d08d415c01f0	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9500000000-cccaa65ce975842470c7	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-7920000000-1a6630c6f0dd4acc0f57	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9300000000-95e1be9194d2eebf89ad	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-9351d83d2e99c383ba18	2016-09-12	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 (retained)	2025-10-24	587.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	449.6
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	49.0
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	238.6
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	309.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-24	319.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	494.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	879.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	981.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	179.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	405.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	190.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	19.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	550.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	793.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	87.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	337.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	733.4
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	614.8

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_1	C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)C(=O)C(=O)O	standard non polar	2025-10-24	2223.79
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_2	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1527.01
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_3	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1738.56
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_4	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	2318.42
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_5	C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(=O)O	standard non polar	2025-10-24	2441.9
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_6	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	2079.07
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_7	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2573.16
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_8	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1768.82
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_9	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2037.6
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_10	C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)C(=O)O	standard non polar	2025-10-24	2228.6
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_11	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1831.97
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_12	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1531.64
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_13	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1939.8
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_14	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2219.96
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_15	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	2009.01
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_16	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1422.2
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_17	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1663.91
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_18	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	2286.95
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_19	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1651.53
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_20	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1519.11
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_21	C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1729.08
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_22	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2116.59
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_23	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2136.63
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_24	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2747.37
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_25	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1648.76
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_26	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1835.96
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_27	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2718.74
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_28	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1588.44
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_29	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2203.73
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_30	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2293.76
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_31	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1792.56
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_32	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)C(=O)O	standard non polar	2025-10-24	2605.21
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_33	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1881.02
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_34	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	2304.78
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_35	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2085.35
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_36	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1502.49
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_37	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2370.2
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_38	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	2343.57
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_39	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1829.06
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_40	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2250.68
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_41	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1989.21
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_42	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	1952.05
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_43	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2000.79
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_44	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2516.08
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_45	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1923.43
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_46	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2647.77
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_47	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1766.34
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_48	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2352.1
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_49	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2626.86
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_50	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	1515.24
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_51	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1615.07
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_52	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2234.17
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_53	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1855.71
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_54	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2828.63
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_55	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2581.56
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_56	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2394.23
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_57	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2380.0
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_58	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1913.25
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_59	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1948.29
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_60	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1121.88
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_61	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	893.875
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_62	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1631.26
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_63	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-24	2597.23
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_64	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2733.5
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_65	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1989.66
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_66	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1765.0
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_67	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	1441.11
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_68	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2141.89
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_69	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2137.92
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_70	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2096.52
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_71	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2239.73
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_72	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1684.91
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_73	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1668.31
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_74	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-24	2772.07
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_75	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2650.58
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_76	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2150.47
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_77	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1175.29
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_78	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2107.07
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_79	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1964.03
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_80	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1288.78
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_81	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1025.89
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_82	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2074.98
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_83	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1935.15
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_84	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1885.58
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_85	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-24	2112.33
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_86	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2538.78
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_87	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2125.61
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_88	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	654.117
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_89	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1823.15
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_90	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1670.27
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_91	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1347.83
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_92	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1889.53
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_93	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1531.37
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_94	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2029.9
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_95	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	969.143
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_1	C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)C(=O)C(=O)O	standard polar	2025-10-24	1683.12
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_2	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2495.56
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_3	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2327.47
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_4	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2100.78
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_5	C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(=O)O	standard polar	2025-10-24	1979.41
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_6	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2188.47
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_7	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2224.41
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_8	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2524.27
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_9	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1350.8
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_10	C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)C(=O)O	standard polar	2025-10-24	2135.44
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_11	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1212.72
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_12	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2085.24
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_13	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	1537.61
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_14	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	1986.89
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_15	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2398.93
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_16	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2298.39
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_17	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	1150.83
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_18	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	1885.49
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_19	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2369.15
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_20	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2006.66
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_21	C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-24	1670.48
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_22	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2013.86
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_23	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1533.47
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_24	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1520.25
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_25	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1658.63
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_26	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2066.0
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_27	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2191.86
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_28	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1976.33
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_29	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1792.34
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_30	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2444.49
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_31	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1473.91
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_32	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)C(=O)O	standard polar	2025-10-24	1796.39
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_33	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2924.57
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_34	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2240.87
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_35	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2096.66
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_36	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2554.12
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_37	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	1953.72
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_38	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	1790.02
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_39	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1822.93
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_40	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2323.16
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_41	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2774.25
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_42	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	2557.49
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_43	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2355.96
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_44	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	1908.08
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_45	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1839.16
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_46	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2672.73
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_47	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2350.5
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_48	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	3260.57
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_49	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1243.64
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_50	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1632.53
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_51	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2016.41
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_52	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	1814.36
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_53	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3106.01
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_54	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2994.86
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_55	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2327.71
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_56	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	2788.02
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_57	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1749.84
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_58	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1493.35
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_59	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1422.66
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_60	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2214.24
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_61	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	927.201
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_62	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2627.26
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_63	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-24	1603.29
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_64	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1725.65
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_65	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	1648.46
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_66	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1604.2
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_67	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	1804.83
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_68	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2449.65
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_69	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1624.65
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_70	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	1887.33
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_71	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2161.85
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_72	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2567.37
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_73	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1674.29
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_74	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-24	388.026
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_75	C[Si](C)(C)O[C@H](C(=O)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2989.39
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_76	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2165.68
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_77	C[Si](C)(C)OC(=O)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1290.14
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_78	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2044.01
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_79	C[Si](C)(C)OC(C(=O)O)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1183.02
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_80	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1720.74
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_81	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1511.11
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_82	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1827.77
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_83	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1669.7
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_84	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2219.79
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_85	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-24	2220.22
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_86	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1643.34
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_87	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2460.79
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_88	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1707.67
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_89	C[Si](C)(C)OC(=O)C(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2461.48
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_90	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2011.57
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_91	C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1550.34
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_92	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2158.02
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_93	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	797.676
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_94	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1628.98
Gas Chromatography	6-phospho-2-dehydro-D-gluconic acid_TMS_95	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3654.21

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
MMDBr0019101	Gluconic acid	6-phospho-2-dehydro-D-gluconic acid	Thermosensitive gluconokinase	Phosphorylation	PathBank	31602464
MMDBr0019102	6-phospho-2-dehydro-D-gluconic acid	2-Keto-3-deoxy-6-phosphogluconic acid	Phosphogluconate dehydratase	Hydration/dehydration of C-O bond	PathBank	31602464
MMDBr0019103	6-phospho-2-dehydro-D-gluconic acid	D-Ribulose 5-phosphate	6-phosphogluconate dehydrogenase, decarboxylating	Dehydrogenation	PathBank	31602464

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

C01218

BioCyc ID

CPD-339

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

2229

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for 6-phospho-2-dehydro-D-gluconic acid (MMDBc0033159)

MOL for #<Metabolite:0x00007f2e21025368>

3D MOL for #<Metabolite:0x00007f2e21025368>

3D SDF for #<Metabolite:0x00007f2e21025368>

3D-SDF for #<Metabolite:0x00007f2e21025368>

PDB for #<Metabolite:0x00007f2e21025368>

3D PDB for #<Metabolite:0x00007f2e21025368>

SMILES for #<Metabolite:0x00007f2e21025368>

INCHI for #<Metabolite:0x00007f2e21025368>

Structure for #<Metabolite:0x00007f2e21025368>

3D Structure for #<Metabolite:0x00007f2e21025368>