Record Information
Version1.0
Creation Date2016-09-30 23:20:00 UTC
Update Date2020-04-22 15:16:47 UTC
BMDB IDBMDB0006049
Secondary Accession Numbers
  • BMDB06049
Metabolite Identification
Common NameO-Phosphotyrosine
DescriptionO-Phosphotyrosine, also known as tyrosine phosphate, belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. O-Phosphotyrosine exists in all living organisms, ranging from bacteria to humans. Based on a literature review a significant number of articles have been published on O-Phosphotyrosine.
Structure
Thumb
Synonyms
ValueSource
O-Phospho-L-tyrosineChEBI
O-Phosphono-L-tyrosineChEBI
PhosphonotyrosineChEBI
PhosphotyrosineChEBI
Tyrosine phosphateChEBI
Tyrosine phosphoric acidGenerator
Tyrosine O phosphateMeSH
Tyrosine-O-phosphateMeSH
L-PhosphotyrosineHMDB
L-3-(4-Hydroxyphenyl)alanine 4'-phosphateHMDB
L-Tyrosine-O-phosphateHMDB
phospho-L-TyrosineHMDB
Phosphotyrosine (py)HMDB
Tyrosine O-phosphateHMDB
Chemical FormulaC9H12NO6P
Average Molecular Weight261.1684
Monoisotopic Molecular Weight261.040223633
IUPAC Name(2S)-2-amino-3-[4-(phosphonooxy)phenyl]propanoic acid
Traditional Namephosphonotyrosine
CAS Registry Number21820-51-9
SMILES
N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O
InChI Identifier
InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
InChI KeyDCWXELXMIBXGTH-QMMMGPOBSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentPhenylalanine and derivatives
Alternative Parents
Substituents
  • Phenylalanine or derivatives
  • 3-phenylpropanoic-acid
  • Phenyl phosphate
  • Alpha-amino acid
  • L-alpha-amino acid
  • Amphetamine or derivatives
  • Aryl phosphomonoester
  • Aryl phosphate
  • Phenoxy compound
  • Aralkylamine
  • Phosphoric acid ester
  • Monocyclic benzene moiety
  • Organic phosphoric acid derivative
  • Benzenoid
  • Amino acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary amine
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.76ALOGPS
logP-1.5ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)1.38ChemAxon
pKa (Strongest Basic)9.46ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area130.08 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity57.97 m³·mol⁻¹ChemAxon
Polarizability22.7 ųChemAxon
Number of Rings1ChemAxon
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 IDHMDB0006049
DrugBank IDDB01962
Phenol Explorer Compound IDNot Available
FooDB IDFDB023821
KNApSAcK IDNot Available
Chemspider ID28593
KEGG Compound IDC06501
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTyrosine
METLIN IDNot Available
PubChem Compound30819
PDB IDPTR
ChEBI ID37788
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available