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L-histidinol phosphate (YMDB00123)

Identification
YMDB IDYMDB00123
NameL-histidinol phosphate
SpeciesSaccharomyces cerevisiae
StrainBaker's yeast
DescriptionL-histidinol phosphate belongs to the class of organic compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine. Based on a literature review very few articles have been published on L-histidinol phosphate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
  • L-Histidinol phosphate
  • PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
  • PHOSPHate mono-[2-amino-3-(3H-imidazol-4-yl)-propyl]ester
  • L-Histidinol phosphoric acid
  • L-Histidinol-phosphoric acid
CAS number25679-93-0
WeightAverage: 221.1509
Monoisotopic: 221.056542399
InChI KeyCWNDERHTHMWBSI-YFKPBYRVSA-N
InChIInChI=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)/t5-/m0/s1
IUPAC Name[(2S)-2-amino-3-(1H-imidazol-4-yl)propoxy]phosphonic acid
Traditional IUPAC NameL-histidinol phosphate
Chemical FormulaC6H12N3O4P
SMILESN[C@H](COP(O)(O)=O)CC1=CNC=N1
Chemical Taxonomy
Description belongs to the class of organic compounds known as phosphoethanolamines. Phosphoethanolamines are compounds containing a phosphate linked to the second carbon of an ethanolamine.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentPhosphoethanolamines
Alternative Parents
Substituents
  • Phosphoethanolamine
  • Monoalkyl phosphate
  • Aralkylamine
  • Alkyl phosphate
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Azacycle
  • Organoheterocyclic compound
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Primary amine
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Physical Properties
StateNot Available
Charge0
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility28.3 g/LALOGPS
logP-1.4ALOGPS
logP-2.9ChemAxon
logS-0.89ALOGPS
pKa (Strongest Acidic)1.59ChemAxon
pKa (Strongest Basic)9.67ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area121.46 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity48.5 m³·mol⁻¹ChemAxon
Polarizability19.41 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations
  • cytoplasm
Organoleptic PropertiesNot Available
SMPDB Pathways
Histidine BiosynthesisPW002418 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways
Histidine metabolismec00340 Map00340
SMPDB Reactions
Imidazole acetol-phosphate + L-Glutamic acid → Oxoglutaric acid + L-histidinol phosphate
L-histidinol phosphate + water → L-histidinol + phosphate
KEGG Reactions
L-histidinol phosphate + water → phosphate + L-histidinol
Imidazole acetol-phosphate + L-Glutamic acid → L-histidinol phosphate + Oxoglutaric acid
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-01ot-9400000000-333e612fa190153df384JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-0930000000-cc0895a3b67477c5eeffJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0ab9-1900000000-cc51981a90f1d800f6f4JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-8900000000-3fa09c1f1dc010de9d7bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00fs-9170000000-dc9d660f4a14ca66a594JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-df617ed344615d266657JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-e746788c3cca47e1c603JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-0390000000-4906696b64984e6ddde7JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-2940000000-603ed7f6f5b985649ea7JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-053r-9200000000-8c0fe54a8e1f6076fcbbJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-1090000000-c6cd42f4da2ff0f79abaJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-2dd173dfe9a30642b89dJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-a5e502a2627af2048a1fJSpectraViewer
References
References:
  • UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
  • Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). "BRENDA, the enzyme information system in 2011." Nucleic Acids Res 39:D670-D676.21062828
  • Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). "A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology." Nat Biotechnol 26:1155-1160.18846089
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI ID16996
HMDB IDHMDB0304403
Pubchem Compound ID439398
Kegg IDC01100
ChemSpider ID388515
FOODB IDFDB030967
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

Protein Details
1. Histidinol-phosphate aminotransferase
General function:
Involved in transferase activity
Specific function:
L-histidinol phosphate + 2-oxoglutarate = 3- (imidazol-4-yl)-2-oxopropyl phosphate + L-glutamate
Gene Name:
HIS5
Uniprot ID:
P07172
Molecular weight:
42645.69922
Reactions
L-histidinol phosphate + 2-oxoglutarate → 3-(imidazol-4-yl)-2-oxopropyl phosphate + L-glutamate.
Protein Details
2. Histidinol-phosphatase
General function:
Involved in histidinol-phosphatase activity
Specific function:
L-histidinol phosphate + H(2)O = L-histidinol + phosphate
Gene Name:
HIS2
Uniprot ID:
P38635
Molecular weight:
38581.5
Reactions
L-histidinol phosphate + H(2)O → L-histidinol + phosphate.