Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110220
Identification
Name: L-histidinol-phosphate
Description:The O-phospho derivative of L-histidinol.
Structure
Thumb
Synonyms:
  • histidinol-P
  • L-histidinol-p
  • histidinol-phosphate
Chemical Formula: C6H11N3O4P
Average Molecular Weight: 220.14
Monoisotopic Molecular Weight: 222.0643674313
InChI Key: CWNDERHTHMWBSI-YFKPBYRVSA-M
InChI: InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/p-1/t5-/m0/s1
CAS number: Not Available
IUPAC Name:(2S)-2-amino-3-(1H-imidazol-4-yl)propyl dihydrogen phosphate
Traditional IUPAC Name: Not Available
SMILES:C1(NC=NC=1CC(COP([O-])(=O)[O-])[N+])
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as alkyl phosphates. These are organic compounds containing a phosphate group that is linked to one or more alkyl chains.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Organic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct Parent Alkyl phosphates
Alternative Parents
Substituents
  • Alkyl phosphate
  • Heteroaromatic compound
  • Imidazole
  • Azole
  • Azacycle
  • Organoheterocyclic compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organic anion
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight220.145 g/molPubChem
XLogP3-AA-4.7 PubChem
Hydrogen Bond Donor Count2 PubChem
Hydrogen Bond Acceptor Count5 PubChem
Rotatable Bond Count4 PubChem
Exact Mass220.049 g/molPubChem
Monoisotopic Mass220.049 g/molPubChem
Topological Polar Surface Area129 A^2PubChem
Heavy Atom Count14 PubChem
Formal Charge-1 PubChem
Complexity210 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count1 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
  • superpathway of histidine, purine, and pyrimidine biosynthesisPRPP-PWY
  • L-histidine biosynthesisHISTSYN-PWY
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CAS25679-93-0
    ChEBI6242
    IAF126036807
    KEGGC01100
    KNApSAcKC00007480
    PubChem25245017