Showing metabocard for O-Phosphohomoserine (BMDB0003484)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:04:54 UTC
Update Date2020-04-22 15:12:23 UTC
BMDB IDBMDB0003484
Secondary Accession Numbers
  • BMDB03484
Metabolite Identification
Common NameO-Phosphohomoserine
DescriptionO-Phosphohomoserine, also known as homoserine phosphate, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. O-Phosphohomoserine exists in all living species, ranging from bacteria to plants to humans. Based on a literature review a significant number of articles have been published on O-Phosphohomoserine.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Homoserine phosphateChEBI
L-Homoserine, dihydrogen phosphate (ester)ChEBI
Homoserine phosphoric acidGenerator
L-Homoserine, dihydrogen phosphoric acid (ester)Generator
2-amino-4-Hydroxy-butyric acid phosphateHMDB
L-2-amino-4-Hydroxy-butyric acid dihydrogen phosphate (ester)HMDB
O-phospho-HomoserineHMDB
O-phospho-L-HomoserineHMDB
O-Phosphohomoserine, (DL)-isomerMeSH, HMDB
Chemical FormulaC4H10NO6P
Average Molecular Weight199.0991
Monoisotopic Molecular Weight199.024573569
IUPAC Name(2S)-2-amino-4-(phosphonooxy)butanoic acid
Traditional NameO-phosphohomoserine
CAS Registry Number4210-66-6
SMILES
N[C@@H](CCOP(O)(O)=O)C(O)=O
InChI Identifier
InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
InChI KeyFXDNYOANAXWZHG-VKHMYHEASA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Amine
  • Hydrocarbon derivative
  • Primary amine
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-3.82Not Available
Predicted Properties
PropertyValueSource
logP-2.3ALOGPS
logP-3.2ChemAxon
logS-1ALOGPS
pKa (Strongest Acidic)1.52ChemAxon
pKa (Strongest Basic)9.46ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area130.08 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.78 m³·mol⁻¹ChemAxon
Polarizability15.86 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0003484
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023182
KNApSAcK IDC00007385
Chemspider ID133252
KEGG Compound IDC01102
BioCyc IDO-PHOSPHO-L-HOMOSERINE
BiGG ID36811
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound151187
PDB IDNot Available
ChEBI ID15961
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available