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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:49:09 UTC
HMDB IDHMDB0001376
Secondary Accession Numbers
  • HMDB01376
Metabolite Identification
Common Name2-Keto-3-deoxy-6-phosphogluconic acid
Description2-Keto-3-deoxy-6-phosphogluconic acid, also known as 2-dehydro-3-deoxy-D-gluconate 6-phosphate or 6-phospho-2-dehydro-3-deoxy-D-gluconate, belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. 2-Keto-3-deoxy-6-phosphogluconic acid exists in all living organisms, ranging from bacteria to humans. 2-Keto-3-deoxy-6-phosphogluconic acid has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make 2-keto-3-deoxy-6-phosphogluconic acid a potential biomarker for the consumption of these foods. 2-Keto-3-deoxy-6-phosphogluconic acid is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on 2-Keto-3-deoxy-6-phosphogluconic acid.
Structure
Data?1582752196
Synonyms
ValueSource
2-Dehydro-3-deoxy-6-phospho-D-gluconateChEBI
2-Dehydro-3-deoxy-D-gluconate 6-phosphateChEBI
2-Keto-3-deoxy-6-phosphogluconateChEBI
3-Deoxy-D-erythro-hex-2-ulosonic acid 6-phosphateChEBI
6-Phospho-2-dehydro-3-deoxy-D-gluconateChEBI
KDPG IntermediateChEBI
2-Dehydro-3-deoxy-6-phospho-D-gluconic acidGenerator
2-Dehydro-3-deoxy-D-gluconic acid 6-phosphoric acidGenerator
3-Deoxy-D-erythro-hex-2-ulosonate 6-phosphateGenerator
3-Deoxy-D-erythro-hex-2-ulosonic acid 6-phosphoric acidGenerator
6-Phospho-2-dehydro-3-deoxy-D-gluconic acidGenerator
KDPG Intermediic acidGenerator
2-dehydro-3-Deoxy-D-gluconate-6-phosphateHMDB
2-keto-3-Deoxy-6-P-gluconateHMDB
2-keto-3-Deoxy-6-phospho-gluconateHMDB
2-keto-3-Deoxygluconate-6-PHMDB
6-P-2-K-3-deo-GluconateHMDB
6-phospho-2-dehydro-3-DeoxygluconateHMDB
6-phospho-2-keto-3-DeoxygluconateHMDB
Chemical FormulaC6H11O9P
Average Molecular Weight258.1199
Monoisotopic Molecular Weight258.014068462
IUPAC Name(4S,5R)-4,5-dihydroxy-2-oxo-6-(phosphonooxy)hexanoic acid
Traditional Namekdpg intermediate
CAS Registry Number27244-54-8
SMILES
O[C@H](COP(O)(O)=O)[C@@H](O)CC(=O)C(O)=O
InChI Identifier
InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1
InChI KeyOVPRPPOVAXRCED-WVZVXSGGSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassKeto acids and derivatives
Sub ClassMedium-chain keto acids and derivatives
Direct ParentMedium-chain keto acids and derivatives
Alternative Parents
Substituents
  • Medium-chain keto acid
  • Monoalkyl phosphate
  • Alpha-keto acid
  • Beta-hydroxy ketone
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Alpha-hydroxy ketone
  • Ketone
  • 1,2-diol
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organooxygen compound
  • Organic oxygen compound
  • Carbonyl group
  • Alcohol
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available144.133http://allccs.zhulab.cn/database/detail?ID=AllCCS00001773
Predicted Molecular Properties
PropertyValueSource
Water Solubility14.3 g/LALOGPS
logP-2.4ALOGPS
logP-1.9ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)1.48ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area161.59 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity47.19 m³·mol⁻¹ChemAxon
Polarizability20.17 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+160.51631661259
DarkChem[M-H]-151.68131661259
AllCCS[M+H]+154.27132859911
AllCCS[M-H]-146.71432859911
DeepCCS[M+H]+145.92130932474
DeepCCS[M-H]-143.52630932474
DeepCCS[M-2H]-176.42230932474
DeepCCS[M+Na]+151.89330932474
AllCCS[M+H]+154.332859911
AllCCS[M+H-H2O]+150.932859911
AllCCS[M+NH4]+157.432859911
AllCCS[M+Na]+158.232859911
AllCCS[M-H]-146.732859911
AllCCS[M+Na-2H]-147.332859911
AllCCS[M+HCOO]-148.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-Keto-3-deoxy-6-phosphogluconic acidO[C@H](COP(O)(O)=O)[C@@H](O)CC(=O)C(O)=O3609.5Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acidO[C@H](COP(O)(O)=O)[C@@H](O)CC(=O)C(O)=O1707.8Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acidO[C@H](COP(O)(O)=O)[C@@H](O)CC(=O)C(O)=O2285.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2-Keto-3-deoxy-6-phosphogluconic acid,1TMS,isomer #1C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)CC(=O)C(=O)O2162.4Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,1TMS,isomer #2C[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@H](O)COP(=O)(O)O2155.0Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,1TMS,isomer #3C[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@H](O)COP(=O)(O)O2117.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)CC(=O)C(=O)O2227.0Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,1TMS,isomer #5C[Si](C)(C)OC(=C[C@H](O)[C@H](O)COP(=O)(O)O)C(=O)O2266.4Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TMS,isomer #1C[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2143.5Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TMS,isomer #10C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)CC(=O)C(=O)O)O[Si](C)(C)C2280.9Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TMS,isomer #11C[Si](C)(C)OC(=C[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C(=O)O2321.3Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TMS,isomer #2C[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2128.7Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)CC(=O)C(=O)O2232.3Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TMS,isomer #4C[Si](C)(C)OC(=C[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C(=O)O2273.7Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O2122.6Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TMS,isomer #6C[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@H](O)COP(=O)(O)O[Si](C)(C)C2222.4Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TMS,isomer #7C[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)C(=O)O2280.1Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TMS,isomer #8C[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C2193.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TMS,isomer #9C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@H](O)COP(=O)(O)O)O[Si](C)(C)C2210.1Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2153.1Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #10C[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2270.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #11C[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)C(=O)O2331.6Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #12C[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2227.7Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #13C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2247.5Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #14C[Si](C)(C)OC(=C[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2330.1Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #2C[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2220.9Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #3C[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)C(=O)O2282.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2215.3Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #5C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)O[Si](C)(C)C2226.9Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #6C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)CC(=O)C(=O)O2280.1Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #7C[Si](C)(C)OC(=C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2319.5Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2193.8Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TMS,isomer #9C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)O[Si](C)(C)C2238.7Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2234.8Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2226.8Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2707.5Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #10C[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2379.3Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #10C[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2310.3Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #10C[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2740.2Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #11C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2266.5Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #11C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2284.0Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #11C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2733.8Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)O[Si](C)(C)C2242.8Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)O[Si](C)(C)C2276.7Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)O[Si](C)(C)C3003.6Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #3C[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2294.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #3C[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2284.3Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #3C[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2585.2Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #4C[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2350.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #4C[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2293.1Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #4C[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2870.2Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2282.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2253.0Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2556.2Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #6C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2281.5Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #6C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2257.6Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #6C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2853.9Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #7C[Si](C)(C)OC(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2372.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #7C[Si](C)(C)OC(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2331.3Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #7C[Si](C)(C)OC(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2738.1Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2258.0Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2252.4Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2552.0Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2266.7Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2237.6Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2867.2Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)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)C2272.4Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)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)C2275.1Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)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)C2441.6Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2291.6Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2255.9Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2638.3Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #3C[Si](C)(C)OC(=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)C(=O)O2407.8Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #3C[Si](C)(C)OC(=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)C(=O)O2313.6Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #3C[Si](C)(C)OC(=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)C(=O)O2562.3Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #4C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2318.8Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #4C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2292.6Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #4C[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2561.3Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #5C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2317.0Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #5C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2273.5Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TMS,isomer #5C[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2582.2Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)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)O[Si](C)(C)C2327.4Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)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)O[Si](C)(C)C2297.9Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)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)O[Si](C)(C)C2429.4Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)CC(=O)C(=O)O2398.0Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@H](O)COP(=O)(O)O2386.7Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@H](O)COP(=O)(O)O2377.3Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)CC(=O)C(=O)O2457.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=C[C@H](O)[C@H](O)COP(=O)(O)O)C(=O)O2484.0Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2558.9Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)CC(=O)C(=O)O)O[Si](C)(C)C(C)(C)C2688.5Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=C[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O2713.3Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2577.0Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)CC(=O)C(=O)O2650.5Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=C[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)C(=O)O2680.5Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O2573.1Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2634.6Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)C(=O)O2681.7Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2647.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@H](O)COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2610.4Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2801.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2887.9Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O2966.3Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2890.3Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2853.7Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=C[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2948.8Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2868.0Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)C(=O)O2913.0Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2869.0Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2839.5Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)CC(=O)C(=O)O2908.4Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2955.0Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2858.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2855.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3076.4Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2968.2Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3018.1Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3189.1Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2896.8Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3040.3Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3071.7Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2879.3Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3029.0Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3074.5Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2923.0Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3187.7Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3124.9Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2937.7Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](CC(=O)C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2931.8Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3201.1Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2934.1Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3113.5Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3094.2Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2938.7Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2917.0Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3102.8Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2910.1Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3088.3Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3187.3Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2926.1Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3033.7Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3077.4Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2934.0Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2918.6Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3118.6Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2888.3Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3103.1Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3312.5Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3068.3Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2902.6Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3306.3Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3014.7Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3012.6Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3409.4Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3015.8Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2975.6Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3312.7Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3007.9Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2969.3Standard polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3310.1Semi standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2984.8Standard non polar33892256
2-Keto-3-deoxy-6-phosphogluconic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2984.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9310000000-b977edea41f10c14441f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid GC-MS (3 TMS) - 70eV, Positivesplash10-01bc-6921400000-ca4d77ba878e92aaedf52017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 10V, Positive-QTOFsplash10-052f-1490000000-ea0f4bddcb2b9a63fa4f2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 20V, Positive-QTOFsplash10-01vy-6940000000-6658b367949c0aff033c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 40V, Positive-QTOFsplash10-0076-9700000000-5dfc9ad3d3a20de417802015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 10V, Negative-QTOFsplash10-0a70-8290000000-46b63c8be3e78b565ecd2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 20V, Negative-QTOFsplash10-004i-9100000000-969c103f10917fe5078a2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 40V, Negative-QTOFsplash10-004i-9000000000-6b6797b8569981c766a42015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 10V, Positive-QTOFsplash10-06r7-6590000000-4bfcef169935d1cae20e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 20V, Positive-QTOFsplash10-0002-9200000000-17589b3b796f6001e6232021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 40V, Positive-QTOFsplash10-0005-9000000000-cd26445e4e826ec3239a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 10V, Negative-QTOFsplash10-0002-9040000000-51b487070c5625d5eab92021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 20V, Negative-QTOFsplash10-004j-9000000000-5c6f9eb036b780095d5a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Keto-3-deoxy-6-phosphogluconic acid 40V, Negative-QTOFsplash10-004i-9000000000-d484c197bb695cc959482021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022588
KNApSAcK IDC00019434
Chemspider ID2338483
KEGG Compound IDC04442
BioCyc ID2-KETO-3-DEOXY-6-P-GLUCONATE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6202
PubChem Compound3080745
PDB IDNot Available
ChEBI ID15925
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Andreesen JR, Gottschalk G: The occurrence of a modified Entner-doudoroff pathway in Clostridium aceticum. Arch Mikrobiol. 1969;69(2):160-70. [PubMed:5383859 ]
  2. Kersters K, De Ley J: The occurrence of the Entner-Doudoroff pathway in bacteria. Antonie Van Leeuwenhoek. 1968;34(4):393-408. [PubMed:5304016 ]