Hmdb loader
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
StatusDetected but not Quantified
Creation Date2009-04-06 16:21:02 UTC
Update Date2022-09-22 18:34:20 UTC
HMDB IDHMDB0012208
Secondary Accession Numbers
  • HMDB12208
Metabolite Identification
Common NameD-Erythro-imidazole-glycerol-phosphate
DescriptionD-Erythro-imidazole-glycerol-phosphate belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. D-Erythro-imidazole-glycerol-phosphate is a very strong basic compound (based on its pKa). Outside of the human body, D-erythro-imidazole-glycerol-phosphate has been detected, but not quantified in, several different foods, such as mammee apples, scarlet beans, grass pea, olives, and bog bilberries. This could make D-erythro-imidazole-glycerol-phosphate a potential biomarker for the consumption of these foods. D-Erythro-imidazole-glycerol-phosphate is an intermediate in histidine metabolism. It is a substrate for imidazoleglycerol-phosphate dehydratase (hisB) and can be generated from phosphoribulosylformimino-AICAR-P.
Structure
Data?1586464485
Synonyms
ValueSource
D-Erythro-imidazole-glycerol 3-phosphateChEBI
D-Erythro-imidazole-glycerol phosphateChEBI
D-Erythro-imidazole-glycerol 3-phosphoric acidGenerator
D-Erythro-imidazole-glycerol phosphoric acidGenerator
D-Erythro-imidazole-glycerol-phosphoric acidGenerator
D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphateHMDB
D-erythro-Imidazoleglycerol-phosphateHMDB
D-erythro-Imidazole-glycerol-PHMDB
D-erythro-Imidazole-glycerol-phosphateHMDB
D-erythro-Imidazolylglycerol phosphateHMDB
IGPHMDB
Imidazole glycerol phosphateHMDB
erythro-Imidazole-glycerol-PHMDB
erythro-Imidazole-glycerol-phosphateHMDB
Chemical FormulaC6H11N2O6P
Average Molecular Weight238.1351
Monoisotopic Molecular Weight238.035472606
IUPAC Name[(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxy]phosphonic acid
Traditional Name(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxyphosphonic acid
CAS Registry Number36244-87-8
SMILES
O[C@H](COP(O)(O)=O)[C@@H](O)C1=CNC=N1
InChI Identifier
InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1
InChI KeyHFYBTHCYPKEDQQ-RITPCOANSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentMonoalkyl phosphates
Alternative Parents
Substituents
  • Monoalkyl phosphate
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary alcohol
  • 1,2-diol
  • Azacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Aromatic alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Not AvailableNot 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 PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility22.2 g/LALOGPS
logP-1.6ALOGPS
logP-4.3ChemAxon
logS-1ALOGPS
pKa (Strongest Acidic)1.48ChemAxon
pKa (Strongest Basic)5.79ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area135.9 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity48.18 m³·mol⁻¹ChemAxon
Polarizability19.79 ųChemAxon
Number of Rings1ChemAxon
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]+153.75631661259
DarkChem[M-H]-147.7431661259
DeepCCS[M+H]+141.14930932474
DeepCCS[M-H]-138.75330932474
DeepCCS[M-2H]-171.94930932474
DeepCCS[M+Na]+147.06130932474
AllCCS[M+H]+151.632859911
AllCCS[M+H-H2O]+147.932859911
AllCCS[M+NH4]+155.032859911
AllCCS[M+Na]+156.032859911
AllCCS[M-H]-144.332859911
AllCCS[M+Na-2H]-144.832859911
AllCCS[M+HCOO]-145.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-Erythro-imidazole-glycerol-phosphateO[C@H](COP(O)(O)=O)[C@@H](O)C1=CNC=N13283.8Standard polar33892256
D-Erythro-imidazole-glycerol-phosphateO[C@H](COP(O)(O)=O)[C@@H](O)C1=CNC=N11888.7Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphateO[C@H](COP(O)(O)=O)[C@@H](O)C1=CNC=N12473.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-Erythro-imidazole-glycerol-phosphate,1TMS,isomer #1C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)C1=C[NH]C=N12119.0Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,1TMS,isomer #2C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@H](O)COP(=O)(O)O2084.9Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)C1=C[NH]C=N12162.7Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,1TMS,isomer #4C[Si](C)(C)N1C=NC([C@H](O)[C@H](O)COP(=O)(O)O)=C12333.8Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TMS,isomer #1C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2108.0Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TMS,isomer #2C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C1=C[NH]C=N12143.9Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)C1=CN([Si](C)(C)C)C=N12317.4Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TMS,isomer #4C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@H](O)COP(=O)(O)O[Si](C)(C)C2111.2Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TMS,isomer #5C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@H](O)COP(=O)(O)O2311.1Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TMS,isomer #6C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)C1=C[NH]C=N1)O[Si](C)(C)C2145.7Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TMS,isomer #7C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)C1=CN([Si](C)(C)C)C=N12356.6Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2139.4Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2147.0Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #1C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2906.8Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2307.3Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2282.5Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #2C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@@H](COP(=O)(O)O)O[Si](C)(C)C3251.5Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C1=C[NH]C=N12148.4Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C1=C[NH]C=N12188.0Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C1=C[NH]C=N12691.5Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #4C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C1=CN([Si](C)(C)C)C=N12334.4Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #4C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C1=CN([Si](C)(C)C)C=N12277.2Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #4C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)C1=CN([Si](C)(C)C)C=N13013.8Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2124.9Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2176.8Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #5C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2699.3Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@H](O)COP(=O)(O)O[Si](C)(C)C2334.3Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@H](O)COP(=O)(O)O[Si](C)(C)C2250.1Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@H](O)COP(=O)(O)O[Si](C)(C)C2969.5Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #7C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)C1=CN([Si](C)(C)C)C=N1)O[Si](C)(C)C2353.0Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #7C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)C1=CN([Si](C)(C)C)C=N1)O[Si](C)(C)C2335.1Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TMS,isomer #7C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)C1=CN([Si](C)(C)C)C=N1)O[Si](C)(C)C2816.4Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #1C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2199.1Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #1C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2173.5Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #1C[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2575.7Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #2C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2351.4Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #2C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2264.1Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #2C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2832.3Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C1=CN([Si](C)(C)C)C=N12365.5Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C1=CN([Si](C)(C)C)C=N12319.2Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)C1=CN([Si](C)(C)C)C=N12675.6Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2364.1Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2285.5Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2655.6Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,5TMS,isomer #1C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2416.9Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,5TMS,isomer #1C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2278.5Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,5TMS,isomer #1C[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C)C=N1)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2578.4Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)C1=C[NH]C=N12370.4Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@H](O)COP(=O)(O)O2308.3Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)C1=C[NH]C=N12390.2Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C=NC([C@H](O)[C@H](O)COP(=O)(O)O)=C12580.4Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2533.6Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C1=C[NH]C=N12594.2Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)C1=CN([Si](C)(C)C(C)(C)C)C=N12788.7Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2543.7Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@H](O)COP(=O)(O)O2789.9Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)C1=C[NH]C=N1)O[Si](C)(C)C(C)(C)C2603.8Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)C1=CN([Si](C)(C)C(C)(C)C)C=N12798.7Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2749.3Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2694.9Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3105.5Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2967.9Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2901.1Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3359.7Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #3CC(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)C1=C[NH]C=N12770.7Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #3CC(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)C1=C[NH]C=N12672.5Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #3CC(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)C1=C[NH]C=N12952.5Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C1=CN([Si](C)(C)C(C)(C)C)C=N13001.7Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C1=CN([Si](C)(C)C(C)(C)C)C=N12862.0Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)C1=CN([Si](C)(C)C(C)(C)C)C=N13190.4Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2729.3Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2656.0Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2954.5Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2998.7Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2833.8Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3150.7Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)C1=CN([Si](C)(C)C(C)(C)C)C=N1)O[Si](C)(C)C(C)(C)C3010.0Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)C1=CN([Si](C)(C)C(C)(C)C)C=N1)O[Si](C)(C)C(C)(C)C2840.1Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)C1=CN([Si](C)(C)C(C)(C)C)C=N1)O[Si](C)(C)C(C)(C)C3059.2Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[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)C2951.1Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[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)C2793.4Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C1=C[NH]C=N1)[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)C2887.5Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3197.4Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2991.1Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3076.8Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #3CC(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)C1=CN([Si](C)(C)C(C)(C)C)C=N13193.9Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #3CC(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)C1=CN([Si](C)(C)C(C)(C)C)C=N12974.7Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #3CC(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)C1=CN([Si](C)(C)C(C)(C)C)C=N12990.2Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3196.2Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2940.5Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2967.2Standard polar33892256
D-Erythro-imidazole-glycerol-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[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)C3397.6Semi standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[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)C3098.6Standard non polar33892256
D-Erythro-imidazole-glycerol-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C1=CN([Si](C)(C)C(C)(C)C)C=N1)[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)C2968.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - D-Erythro-imidazole-glycerol-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9100000000-d76217806469071509612016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Erythro-imidazole-glycerol-phosphate GC-MS (2 TMS) - 70eV, Positivesplash10-014i-3902000000-672dc9789ba9dac4f90b2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Erythro-imidazole-glycerol-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 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 - D-Erythro-imidazole-glycerol-phosphate 10V, Positive-QTOFsplash10-000i-1590000000-995459a9c601e4f93bb92015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 20V, Positive-QTOFsplash10-01bm-7930000000-7a1fc0321a5a26cb36412015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 40V, Positive-QTOFsplash10-014i-9100000000-233300ba036335dbdb362015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 10V, Negative-QTOFsplash10-002s-9160000000-586419351fea64eb6eaa2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 20V, Negative-QTOFsplash10-004i-9000000000-4b73b23e7fb5e36e8b122015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-3234231a277bb5d275a32015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 10V, Positive-QTOFsplash10-0076-0930000000-9d0199b4a40acd09d9502021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 20V, Positive-QTOFsplash10-00dl-6900000000-61cc16ade0d5022d7ba72021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 40V, Positive-QTOFsplash10-014i-9000000000-5ce5f6fd52eba0bf64852021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 10V, Negative-QTOFsplash10-002s-9070000000-6f235e806e9d50bbef562021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 20V, Negative-QTOFsplash10-004i-9000000000-773be54506d41c124bd42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Erythro-imidazole-glycerol-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-7800232852d6f8ad76632021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028853
KNApSAcK IDC00007478
Chemspider ID389372
KEGG Compound IDC04666
BioCyc IDD-ERYTHRO-IMIDAZOLE-GLYCEROL-P
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440431
PDB IDNot Available
ChEBI ID17805
Food Biomarker OntologyNot Available
VMH IDEIG3P
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available