Hmdb loader
Survey
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 07:22:54 UTC
Update Date2021-09-24 07:22:54 UTC
HMDB IDHMDB0304124
Secondary Accession NumbersNone
Metabolite Identification
Common Name3-deoxy-D-arabino-heptulosonate-7-phosphate
Description2-dehydro-3-deoxy-d-arabino-heptonate 7-phosphate, also known as 2-dahp or 3-deoxy-arabino-heptulonic acid 7-phosphoric acid, is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. 2-dehydro-3-deoxy-d-arabino-heptonate 7-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-dehydro-3-deoxy-d-arabino-heptonate 7-phosphate can be found in a number of food items such as prairie turnip, horned melon, bilberry, and biscuit, which makes 2-dehydro-3-deoxy-d-arabino-heptonate 7-phosphate a potential biomarker for the consumption of these food products. 2-dehydro-3-deoxy-d-arabino-heptonate 7-phosphate exists in E.coli (prokaryote) and yeast (eukaryote).
Structure
Thumb
Synonyms
ValueSource
2-DahpChEBI
2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphateChEBI
3-Deoxy-arabino-heptulonate 7-phosphateChEBI
3-Deoxy-D-arabino-2-heptulosonic acid 7-(dihydrogen phosphate)ChEBI
3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphateChEBI
3-Deoxy-D-arabino-heptulosonate-7-phosphateChEBI
3-Deoxy-D-arabino-heptulosonic acid 7-phosphateChEBI
DAHPChEBI
2-Dehydro-3-deoxy-D-arabino-heptonic acid 7-phosphoric acidGenerator
3-Deoxy-arabino-heptulonic acid 7-phosphoric acidGenerator
3-Deoxy-D-arabino-2-heptulosonate 7-(dihydrogen phosphate)Generator
3-Deoxy-D-arabino-2-heptulosonic acid 7-(dihydrogen phosphoric acid)Generator
3-Deoxy-D-arabino-hept-2-ulosonic acid 7-phosphoric acidGenerator
3-Deoxy-D-arabino-heptulosonic acid-7-phosphoric acidGenerator
3-Deoxy-D-arabino-heptulosonate 7-phosphateGenerator
3-Deoxy-D-arabino-heptulosonic acid 7-phosphoric acidGenerator
7-Phospho-2-dehydro-3-deoxy-D-arabino-heptonateGenerator
2-Dehydro-3-deoxy-D-arabino-heptulosonic acid-7-phosphateMeSH
3-Deoxy-D-arabino-2-heptulosonic acidMeSH
3-Deoxyarabinoheptulosonate-7-phosphateMeSH
7-Phospho-2-keto-3-deoxy-D-arabinoheptonateMeSH
Chemical FormulaC7H13O10P
Average Molecular Weight288.1459
Monoisotopic Molecular Weight288.024633148
IUPAC Name(4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-(phosphonooxy)heptanoic acid
Traditional NameDAHP
CAS Registry NumberNot Available
SMILES
O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)CC(=O)C(O)=O
InChI Identifier
InChI=1S/C7H13O10P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,8,10-11H,1-2H2,(H,12,13)(H2,14,15,16)/t3-,5-,6+/m1/s1
InChI KeyPJWIPEXIFFQAQZ-PUFIMZNGSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentMonosaccharide phosphates
Alternative Parents
Substituents
  • Heptose monosaccharide
  • Monosaccharide phosphate
  • Medium-chain keto acid
  • Monoalkyl phosphate
  • Sugar acid
  • Alpha-keto acid
  • Alkyl phosphate
  • Beta-hydroxy ketone
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Keto acid
  • Alpha-hydroxy ketone
  • Secondary alcohol
  • Ketone
  • Polyol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Carbonyl group
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
Process
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.5ALOGPS
logP-2.5ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)1.47ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area181.82 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity53.15 m³·mol⁻¹ChemAxon
Polarizability22.37 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+160.68832859911
AllCCS[M+H-H2O]+157.55832859911
AllCCS[M+Na]+164.41832859911
AllCCS[M+NH4]+163.58532859911
AllCCS[M-H]-153.50632859911
AllCCS[M+Na-2H]-153.89432859911
AllCCS[M+HCOO]-154.42732859911
DeepCCS[M+H]+154.39130932474
DeepCCS[M-H]-151.99530932474
DeepCCS[M-2H]-185.25330932474
DeepCCS[M+Na]+160.3830932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)C[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)C2415.8Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)C[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)C2408.6Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)C[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)C2891.5Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #10C[Si](C)(C)OC(=C[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)C(=O)O2564.5Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #10C[Si](C)(C)OC(=C[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)C(=O)O2476.0Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #10C[Si](C)(C)OC(=C[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)C(=O)O2972.0Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #11C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2480.6Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #11C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2453.3Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #11C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2946.7Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #12C[Si](C)(C)OC(=O)C(=O)C[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)C2448.2Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #12C[Si](C)(C)OC(=O)C(=O)C[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)C2415.5Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #12C[Si](C)(C)OC(=O)C(=O)C[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)C2728.5Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #13C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2461.9Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #13C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2401.9Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #13C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2980.2Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #14C[Si](C)(C)OC(=C[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)C(=O)O2578.2Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #14C[Si](C)(C)OC(=C[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)C(=O)O2452.1Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #14C[Si](C)(C)OC(=C[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)C(=O)O2899.4Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #15C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2495.3Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #15C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2434.2Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #15C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2860.2Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #16C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2482.0Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #16C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2425.5Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #16C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2926.3Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2421.7Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2433.7Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C3161.8Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #3C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CC(=O)C(=O)O)O[Si](C)(C)C2492.7Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #3C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CC(=O)C(=O)O)O[Si](C)(C)C2414.9Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #3C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CC(=O)C(=O)O)O[Si](C)(C)C2784.2Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #4C[Si](C)(C)OC(=C[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)C(=O)O2542.7Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #4C[Si](C)(C)OC(=C[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)C(=O)O2448.4Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #4C[Si](C)(C)OC(=C[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)C(=O)O3067.5Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #5C[Si](C)(C)OC(=O)C(=O)C[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)C2461.9Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #5C[Si](C)(C)OC(=O)C(=O)C[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)C2419.5Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #5C[Si](C)(C)OC(=O)C(=O)C[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)C2732.8Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #6C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2466.8Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #6C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2427.3Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #6C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C3029.5Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #7C[Si](C)(C)OC(=C[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)C(=O)O2570.8Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #7C[Si](C)(C)OC(=C[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)C(=O)O2481.1Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #7C[Si](C)(C)OC(=C[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)C(=O)O2928.0Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #8C[Si](C)(C)OC(=O)C(=O)C[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)C2438.6Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #8C[Si](C)(C)OC(=O)C(=O)C[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)C2433.1Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #8C[Si](C)(C)OC(=O)C(=O)C[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)C2776.5Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #9C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2454.0Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #9C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2423.2Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TMS,isomer #9C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C3075.8Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)C[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)C2453.3Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)C[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)C2451.7Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #1C[Si](C)(C)OC(=O)C(=O)C[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)C2657.3Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2482.8Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2446.3Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #2C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2844.5Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #3C[Si](C)(C)OC(=C[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)C(=O)O2591.1Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #3C[Si](C)(C)OC(=C[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)C(=O)O2475.3Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #3C[Si](C)(C)OC(=C[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)C(=O)O2770.5Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #4C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2487.5Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #4C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2465.1Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #4C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2747.5Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #5C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2503.0Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #5C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2466.2Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #5C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2801.1Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #6C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2476.0Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #6C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2445.2Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,6TMS,isomer #6C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2715.9Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,7TMS,isomer #1C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2529.6Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,7TMS,isomer #1C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2497.8Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,7TMS,isomer #1C[Si](C)(C)OC(=O)C(=C[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)O[Si](C)(C)C2660.3Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,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](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)C3477.3Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,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](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)C3244.0Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,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](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)C3248.3Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=C[C@@H](O[Si](C)(C)C(C)(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)C(=O)O3568.9Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=C[C@@H](O[Si](C)(C)C(C)(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)C(=O)O3171.9Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=C[C@@H](O[Si](C)(C)C(C)(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)C(=O)O3312.2Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O)[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)C3474.6Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O)[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)C3158.9Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O)[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)C3286.9Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@@H](O[Si](C)(C)C(C)(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)C3479.6Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@@H](O[Si](C)(C)C(C)(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)C3214.1Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@@H](O[Si](C)(C)C(C)(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)C3152.4Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3476.0Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3154.0Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3289.6Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=C[C@@H](O[Si](C)(C)C(C)(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)C(=O)O3570.0Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=C[C@@H](O[Si](C)(C)C(C)(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)C(=O)O3156.5Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=C[C@@H](O[Si](C)(C)C(C)(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)C(=O)O3263.9Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O)[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)C3508.9Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O)[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)C3145.8Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O)[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)C3223.3Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3472.5Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3129.9Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3276.0Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3469.2Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3194.7Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3409.1Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]([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@@H](CC(=O)C(=O)O)O[Si](C)(C)C(C)(C)C3524.4Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]([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@@H](CC(=O)C(=O)O)O[Si](C)(C)C(C)(C)C3190.2Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]([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@@H](CC(=O)C(=O)O)O[Si](C)(C)C(C)(C)C3183.8Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=C[C@@H](O[Si](C)(C)C(C)(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)C(=O)O3575.0Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=C[C@@H](O[Si](C)(C)C(C)(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)C(=O)O3192.5Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=C[C@@H](O[Si](C)(C)C(C)(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)C(=O)O3357.2Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@@H](O)[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)C3504.5Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@@H](O)[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)C3218.0Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@@H](O)[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)C3151.4Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O)[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)C3504.2Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O)[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)C3179.9Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O)[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)C3320.8Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=C[C@@H](O)[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)O3575.6Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=C[C@@H](O)[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)O3184.5Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=C[C@@H](O)[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)O3272.8Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,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)[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)C3477.3Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,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)[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)C3230.4Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,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)[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)C3188.6Standard polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3492.4Semi standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3172.4Standard non polar33892256
3-deoxy-D-arabino-heptulosonate-7-phosphate,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(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)C3358.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-006w-6920000000-01ac7cd5df7cb6d11ab72016-09-22Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 10V, Positive-QTOFsplash10-00du-1490000000-b500894b2362a345803f2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 20V, Positive-QTOFsplash10-0006-5930000000-a9d3893a2dec466630ee2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 40V, Positive-QTOFsplash10-00xr-9700000000-3199033968d25ee1d2352015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 10V, Negative-QTOFsplash10-002k-6940000000-98d2442ffe3031d309f12015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 20V, Negative-QTOFsplash10-004i-9200000000-37861b420da4e96055ac2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-0ba308fea596aa1da1c22015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 10V, Positive-QTOFsplash10-007c-1590000000-5032f9123dae327ae7fd2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 20V, Positive-QTOFsplash10-0fr2-9700000000-7ee2c3c29df5d7c3c4662021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 40V, Positive-QTOFsplash10-0002-9100000000-5648242eb0703edfc1a42021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 10V, Negative-QTOFsplash10-00kr-2090000000-303f8ce9daad2d0d83702021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 20V, Negative-QTOFsplash10-0002-9300000000-b3e39bf1c93cf778ae7c2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-deoxy-D-arabino-heptulosonate-7-phosphate 40V, Negative-QTOFsplash10-004j-9000000000-5c6f9eb036b780095d5a2021-10-21Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-20Wishart 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 IDFDB030419
KNApSAcK IDC00007497
Chemspider ID141160
KEGG Compound IDC04691
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound160647
PDB IDNot Available
ChEBI ID18150
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 ReferencesNot Available