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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-08-13 06:36:08 UTC
Update Date2021-09-14 14:58:36 UTC
HMDB IDHMDB0003882
Secondary Accession Numbers
  • HMDB03882
Metabolite Identification
Common NameN1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole
DescriptionN1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole, also known as alpha-ribazole-5'-p or 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole 5'-phosphate, belongs to the class of organic compounds known as benzimidazole ribonucleosides and ribonucleotides. These are nucleosides with a structure that consists of an imidazole moiety of benzimidazole is N-linked to a ribose (or deoxyribose). Nucleotides have a phosphate group linked to the C5 carbon of the ribose (or deoxyribose) moiety. N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole exists in all living organisms, ranging from bacteria to humans. N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 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 N1-(5-phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole a potential biomarker for the consumption of these foods. N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 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 significant number of articles have been published on N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole.
Structure
Data?1582752289
Synonyms
ValueSource
5,6-Dimethyl-1-alpha-D-ribofuranosylbenzimidazole 5'-phosphateChEBI
alpha-Ribazole-5'-pChEBI
ALPHA-RIBAZOLE-5'-phosphATEChEBI
N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazoleChEBI
N(1)-(5-Phosphoribosyl)-5,6-dimethylbenzimidazoleChEBI
PHOSPHORIC ACID mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2ylmethyl] esterChEBI
alpha-Ribazole 5'-phosphateKegg
5,6-Dimethyl-1-a-D-ribofuranosylbenzimidazole 5'-phosphateGenerator
5,6-Dimethyl-1-a-D-ribofuranosylbenzimidazole 5'-phosphoric acidGenerator
5,6-Dimethyl-1-alpha-D-ribofuranosylbenzimidazole 5'-phosphoric acidGenerator
5,6-Dimethyl-1-α-D-ribofuranosylbenzimidazole 5'-phosphateGenerator
5,6-Dimethyl-1-α-D-ribofuranosylbenzimidazole 5'-phosphoric acidGenerator
a-Ribazole-5'-pGenerator
Α-ribazole-5'-pGenerator
a-RIBAZOLE-5'-phosphateGenerator
a-RIBAZOLE-5'-phosphoric acidGenerator
alpha-RIBAZOLE-5'-phosphoric acidGenerator
Α-ribazole-5'-phosphateGenerator
Α-ribazole-5'-phosphoric acidGenerator
N1-(5-Phospho-α-D-ribosyl)-5,6-dimethylbenzimidazoleGenerator
PHOSPHate mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2ylmethyl] esterGenerator
a-Ribazole 5'-phosphateGenerator
a-Ribazole 5'-phosphoric acidGenerator
alpha-Ribazole 5'-phosphoric acidGenerator
Α-ribazole 5'-phosphateGenerator
Α-ribazole 5'-phosphoric acidGenerator
alpha-Ribazole-5'-PO4HMDB
N1-(5-phospho-alpha-delta-Ribosyl)-5,6-dimethylbenzimidazoleHMDB
Chemical FormulaC14H19N2O7P
Average Molecular Weight358.2836
Monoisotopic Molecular Weight358.092987484
IUPAC Name{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional Nameα-ribazole-5'-P
CAS Registry NumberNot Available
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1
InChI KeyZMRGXEJKZPRBPJ-SYQHCUMBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzimidazole ribonucleosides and ribonucleotides. These are nucleosides with a structure that consists of an imidazole moiety of benzimidazole is N-linked to a ribose (or deoxyribose). Nucleotides have a phosphate group linked to the C5 carbon of the ribose (or deoxyribose) moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassBenzimidazole ribonucleosides and ribonucleotides
Sub ClassNot Available
Direct ParentBenzimidazole ribonucleosides and ribonucleotides
Alternative Parents
Substituents
  • 1-ribofuranosylbenzimidazole
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Benzimidazole
  • Monoalkyl phosphate
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Benzenoid
  • Azole
  • Tetrahydrofuran
  • Imidazole
  • Heteroaromatic compound
  • 1,2-diol
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Azacycle
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic oxide
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-0.524Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.53 g/LALOGPS
logP-0.32ALOGPS
logP-1.5ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)1.22ChemAxon
pKa (Strongest Basic)5.81ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area134.27 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity82.52 m³·mol⁻¹ChemAxon
Polarizability34.13 ųChemAxon
Number of Rings3ChemAxon
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]+180.2131661259
DarkChem[M-H]-177.89531661259
DeepCCS[M+H]+170.01930932474
DeepCCS[M-H]-167.62330932474
DeepCCS[M-2H]-201.82730932474
DeepCCS[M+Na]+177.83630932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazoleCC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O4099.0Standard polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazoleCC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O2177.0Standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazoleCC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O3298.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,1TMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O)C=N23033.7Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,1TMS,isomer #2CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C)C=N23013.0Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,1TMS,isomer #3CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O)C=N23124.3Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,2TMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=N22976.8Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,2TMS,isomer #2CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)C=N23072.3Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,2TMS,isomer #3CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)C=N23057.9Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,2TMS,isomer #4CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O)C=N23098.3Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=N23052.5Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=N23008.8Standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=N23672.8Standard polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TMS,isomer #2CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)C=N23080.2Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TMS,isomer #2CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)C=N23006.0Standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TMS,isomer #2CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)C=N23460.6Standard polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TMS,isomer #3CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)C=N23065.6Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TMS,isomer #3CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)C=N23022.2Standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TMS,isomer #3CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)C=N23495.8Standard polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,4TMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=N23081.7Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,4TMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=N22994.3Standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,4TMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=N23303.5Standard polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,1TBDMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)C=N23310.0Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,1TBDMS,isomer #2CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23290.1Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,1TBDMS,isomer #3CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)C=N23364.0Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,2TBDMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23487.6Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,2TBDMS,isomer #2CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)C=N23558.2Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,2TBDMS,isomer #3CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23541.6Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,2TBDMS,isomer #4CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)C=N23564.4Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TBDMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23709.7Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TBDMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23606.5Standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TBDMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23854.4Standard polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TBDMS,isomer #2CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)C=N23734.2Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TBDMS,isomer #2CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)C=N23558.6Standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TBDMS,isomer #2CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)C=N23713.8Standard polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TBDMS,isomer #3CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23715.7Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TBDMS,isomer #3CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23570.7Standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,3TBDMS,isomer #3CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23748.5Standard polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,4TBDMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23880.9Semi standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,4TBDMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23677.8Standard non polar33892256
N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole,4TBDMS,isomer #1CC1=CC2=C(C=C1C)N([C@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23637.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9612000000-fb21cfa813df9fff3f0d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole GC-MS (2 TMS) - 70eV, Positivesplash10-01vk-5943100000-cb128df76b1b27f965342017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 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 - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 10V, Positive-QTOFsplash10-0002-0924000000-ca83b2cabb6f848fb6062015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 20V, Positive-QTOFsplash10-0002-1910000000-f1a785d3193f0d8ff5bc2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 40V, Positive-QTOFsplash10-0002-0900000000-047b40eca213cd9b3d4d2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 10V, Negative-QTOFsplash10-0a6s-7709000000-c0797f58260c9a1a6a6c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 20V, Negative-QTOFsplash10-002b-8900000000-1229d2ae6136dbe436372015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 40V, Negative-QTOFsplash10-004i-9200000000-e3828a9e7ec68e9998b42015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 10V, Negative-QTOFsplash10-0a4i-3009000000-6535ffb46debd0ae1f342021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 20V, Negative-QTOFsplash10-004i-9001000000-578749d5ff31e4fab5ea2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 40V, Negative-QTOFsplash10-004i-9100000000-d4ee221347b2259634d22021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 10V, Positive-QTOFsplash10-0a4j-0719000000-2538d2d5f670e5ddcec92021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 20V, Positive-QTOFsplash10-0002-0923000000-40c17e787a25cabb848e2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole 40V, Positive-QTOFsplash10-0002-4900000000-6c85eaa5dbac4013d3832021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart 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 IDDB02030
Phenol Explorer Compound IDNot Available
FooDB IDFDB023243
KNApSAcK IDNot Available
Chemspider ID392720
KEGG Compound IDC04778
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound444941
PDB IDNot Available
ChEBI ID16837
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

Enzymes

General function:
Involved in phosphohistidine phosphatase activity
Specific function:
Exhibits phosphohistidine phosphatase activity.
Gene Name:
PHPT1
Uniprot ID:
Q9NRX4
Molecular weight:
Not Available