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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2007-04-12 21:15:42 UTC
Update Date2021-09-14 15:20:06 UTC
HMDB IDHMDB0006049
Secondary Accession Numbers
  • HMDB06049
Metabolite Identification
Common NameO-Phosphotyrosine
DescriptionO-Phosphotyrosine is a phosphorylated amino acid that occurs in a number of proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis. Small amounts of free phosphotyrosine can be found in urine (PMID: 7693088 ). Levels of this amino acid appear to be elevated in mammalian urine during liver regeneration (PMID: 7516161 ). Phosphotyrosine is also able to induce platelet aggregation in vitro and it has been suggested that free phosphotyrosine in blood could be meaningful for in vivo platelet activation (PMID: 1282059 ).
Structure
Data?1582752373
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 NumberNot Available
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
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+MetCCS_train_pos162.21830932474
[M+H]+Not Available162.843http://allccs.zhulab.cn/database/detail?ID=AllCCS00000064
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.93 g/LALOGPS
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 FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+160.89331661259
DarkChem[M-H]-156.1231661259
DeepCCS[M+H]+150.23330932474
DeepCCS[M-H]-147.83730932474
DeepCCS[M-2H]-181.13230932474
DeepCCS[M+Na]+156.15830932474
AllCCS[M+H]+157.032859911
AllCCS[M+H-H2O]+153.432859911
AllCCS[M+NH4]+160.332859911
AllCCS[M+Na]+161.232859911
AllCCS[M-H]-152.732859911
AllCCS[M+Na-2H]-153.032859911
AllCCS[M+HCOO]-153.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
O-PhosphotyrosineN[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O3275.5Standard polar33892256
O-PhosphotyrosineN[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O2186.0Standard non polar33892256
O-PhosphotyrosineN[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O2491.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
O-Phosphotyrosine,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O)O)C=C12312.3Semi standard non polar33892256
O-Phosphotyrosine,1TMS,isomer #2C[Si](C)(C)OP(=O)(O)OC1=CC=C(C[C@H](N)C(=O)O)C=C12428.6Semi standard non polar33892256
O-Phosphotyrosine,1TMS,isomer #3C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O2439.5Semi standard non polar33892256
O-Phosphotyrosine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C12305.6Semi standard non polar33892256
O-Phosphotyrosine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C12323.1Standard non polar33892256
O-Phosphotyrosine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C13106.9Standard polar33892256
O-Phosphotyrosine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O[Si](C)(C)C2339.9Semi standard non polar33892256
O-Phosphotyrosine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O[Si](C)(C)C2336.0Standard non polar33892256
O-Phosphotyrosine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O[Si](C)(C)C3057.3Standard polar33892256
O-Phosphotyrosine,2TMS,isomer #3C[Si](C)(C)OP(=O)(OC1=CC=C(C[C@H](N)C(=O)O)C=C1)O[Si](C)(C)C2388.6Semi standard non polar33892256
O-Phosphotyrosine,2TMS,isomer #3C[Si](C)(C)OP(=O)(OC1=CC=C(C[C@H](N)C(=O)O)C=C1)O[Si](C)(C)C2362.0Standard non polar33892256
O-Phosphotyrosine,2TMS,isomer #3C[Si](C)(C)OP(=O)(OC1=CC=C(C[C@H](N)C(=O)O)C=C1)O[Si](C)(C)C3216.9Standard polar33892256
O-Phosphotyrosine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C1)C(=O)O2426.1Semi standard non polar33892256
O-Phosphotyrosine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C1)C(=O)O2367.9Standard non polar33892256
O-Phosphotyrosine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C1)C(=O)O3048.5Standard polar33892256
O-Phosphotyrosine,2TMS,isomer #5C[Si](C)(C)N([C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O)[Si](C)(C)C2549.9Semi standard non polar33892256
O-Phosphotyrosine,2TMS,isomer #5C[Si](C)(C)N([C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O)[Si](C)(C)C2432.7Standard non polar33892256
O-Phosphotyrosine,2TMS,isomer #5C[Si](C)(C)N([C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O)[Si](C)(C)C3204.4Standard polar33892256
O-Phosphotyrosine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C12298.7Semi standard non polar33892256
O-Phosphotyrosine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C12381.0Standard non polar33892256
O-Phosphotyrosine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C12909.7Standard polar33892256
O-Phosphotyrosine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2347.2Semi standard non polar33892256
O-Phosphotyrosine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2399.3Standard non polar33892256
O-Phosphotyrosine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2813.3Standard polar33892256
O-Phosphotyrosine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O)C=C1)N([Si](C)(C)C)[Si](C)(C)C2474.9Semi standard non polar33892256
O-Phosphotyrosine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O)C=C1)N([Si](C)(C)C)[Si](C)(C)C2446.2Standard non polar33892256
O-Phosphotyrosine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O)C=C1)N([Si](C)(C)C)[Si](C)(C)C2924.0Standard polar33892256
O-Phosphotyrosine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C1)C(=O)O2422.5Semi standard non polar33892256
O-Phosphotyrosine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C1)C(=O)O2448.2Standard non polar33892256
O-Phosphotyrosine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C1)C(=O)O2803.7Standard polar33892256
O-Phosphotyrosine,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C12527.9Semi standard non polar33892256
O-Phosphotyrosine,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C12477.4Standard non polar33892256
O-Phosphotyrosine,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C12916.5Standard polar33892256
O-Phosphotyrosine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2371.9Semi standard non polar33892256
O-Phosphotyrosine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2457.4Standard non polar33892256
O-Phosphotyrosine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2640.0Standard polar33892256
O-Phosphotyrosine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2488.2Semi standard non polar33892256
O-Phosphotyrosine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2499.5Standard non polar33892256
O-Phosphotyrosine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2747.6Standard polar33892256
O-Phosphotyrosine,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1)O[Si](C)(C)C2538.3Semi standard non polar33892256
O-Phosphotyrosine,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1)O[Si](C)(C)C2552.4Standard non polar33892256
O-Phosphotyrosine,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1)O[Si](C)(C)C2728.3Standard polar33892256
O-Phosphotyrosine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2546.9Semi standard non polar33892256
O-Phosphotyrosine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2549.9Standard non polar33892256
O-Phosphotyrosine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C2611.7Standard polar33892256
O-Phosphotyrosine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O)O)C=C12603.2Semi standard non polar33892256
O-Phosphotyrosine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OC1=CC=C(C[C@H](N)C(=O)O)C=C12677.4Semi standard non polar33892256
O-Phosphotyrosine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O2706.8Semi standard non polar33892256
O-Phosphotyrosine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C12811.8Semi standard non polar33892256
O-Phosphotyrosine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C12748.3Standard non polar33892256
O-Phosphotyrosine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C13267.0Standard polar33892256
O-Phosphotyrosine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C2871.0Semi standard non polar33892256
O-Phosphotyrosine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C2758.2Standard non polar33892256
O-Phosphotyrosine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3197.9Standard polar33892256
O-Phosphotyrosine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC1=CC=C(C[C@H](N)C(=O)O)C=C1)O[Si](C)(C)C(C)(C)C2877.3Semi standard non polar33892256
O-Phosphotyrosine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC1=CC=C(C[C@H](N)C(=O)O)C=C1)O[Si](C)(C)C(C)(C)C2760.2Standard non polar33892256
O-Phosphotyrosine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC1=CC=C(C[C@H](N)C(=O)O)C=C1)O[Si](C)(C)C(C)(C)C3360.0Standard polar33892256
O-Phosphotyrosine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O2946.9Semi standard non polar33892256
O-Phosphotyrosine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O2792.0Standard non polar33892256
O-Phosphotyrosine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3236.8Standard polar33892256
O-Phosphotyrosine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3045.2Semi standard non polar33892256
O-Phosphotyrosine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C2829.3Standard non polar33892256
O-Phosphotyrosine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=C(OP(=O)(O)O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3261.1Standard polar33892256
O-Phosphotyrosine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C12984.4Semi standard non polar33892256
O-Phosphotyrosine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C12932.4Standard non polar33892256
O-Phosphotyrosine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C13161.9Standard polar33892256
O-Phosphotyrosine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3059.9Semi standard non polar33892256
O-Phosphotyrosine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C2991.5Standard non polar33892256
O-Phosphotyrosine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3121.2Standard polar33892256
O-Phosphotyrosine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3235.1Semi standard non polar33892256
O-Phosphotyrosine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3054.2Standard non polar33892256
O-Phosphotyrosine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3145.2Standard polar33892256
O-Phosphotyrosine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3141.1Semi standard non polar33892256
O-Phosphotyrosine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3001.9Standard non polar33892256
O-Phosphotyrosine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3131.7Standard polar33892256
O-Phosphotyrosine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13279.5Semi standard non polar33892256
O-Phosphotyrosine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13056.8Standard non polar33892256
O-Phosphotyrosine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13173.6Standard polar33892256
O-Phosphotyrosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3230.3Semi standard non polar33892256
O-Phosphotyrosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3153.2Standard non polar33892256
O-Phosphotyrosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3059.2Standard polar33892256
O-Phosphotyrosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3422.6Semi standard non polar33892256
O-Phosphotyrosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3235.9Standard non polar33892256
O-Phosphotyrosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3088.5Standard polar33892256
O-Phosphotyrosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)O[Si](C)(C)C(C)(C)C3475.6Semi standard non polar33892256
O-Phosphotyrosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)O[Si](C)(C)C(C)(C)C3217.8Standard non polar33892256
O-Phosphotyrosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC1=CC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)O[Si](C)(C)C(C)(C)C3088.8Standard polar33892256
O-Phosphotyrosine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3589.8Semi standard non polar33892256
O-Phosphotyrosine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3388.4Standard non polar33892256
O-Phosphotyrosine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3079.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - O-Phosphotyrosine GC-MS (Non-derivatized) - 70eV, Positivesplash10-00kv-9760000000-fac0ad90cc9632ea6e272017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - O-Phosphotyrosine GC-MS (1 TMS) - 70eV, Positivesplash10-014i-7490000000-942403f966393fcd98df2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - O-Phosphotyrosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - O-Phosphotyrosine 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 - O-Phosphotyrosine 10V, Positive-QTOFsplash10-02td-1190000000-c4bdb7da24563b4177c32015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphotyrosine 20V, Positive-QTOFsplash10-014j-1790000000-55cef97dac3a8d00ae8e2015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphotyrosine 40V, Positive-QTOFsplash10-014i-2900000000-1f6422b48ae626b434852015-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphotyrosine 10V, Negative-QTOFsplash10-004i-9030000000-8821df5eb9bab97574d62015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphotyrosine 20V, Negative-QTOFsplash10-004i-9110000000-52223829a773b18208562015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphotyrosine 40V, Negative-QTOFsplash10-004i-9000000000-0e7b4ff762027c7092692015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphotyrosine 10V, Negative-QTOFsplash10-004i-9060000000-ccb200a7330d4d29af622021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphotyrosine 20V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphotyrosine 40V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphotyrosine 10V, Positive-QTOFsplash10-02t9-0090000000-813cf20537b120ee03f12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphotyrosine 20V, Positive-QTOFsplash10-014j-1190000000-30d2bc5ccbdd91a0b7202021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phosphotyrosine 40V, Positive-QTOFsplash10-014i-3910000000-6669265710f2d4346cd62021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
details
UrineDetected and Quantified0.00073 +/- 0.00005 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
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
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 References
  1. Kataoka H, Nakai K, Katagiri Y, Makita M: Analysis of free and bound O-phosphoamino acids in urine by gas chromatography with flame photometric detection. Biomed Chromatogr. 1993 Jul-Aug;7(4):184-8. [PubMed:7693088 ]
  2. Kataoka H, Nakai K, Makita M: Increase of phosphotyrosine levels in mouse urine and liver during liver regeneration after partial hepatectomy. Biochem Biophys Res Commun. 1994 Jun 15;201(2):909-16. [PubMed:7516161 ]
  3. Munoz GE, Arenas-Diaz G, Marshall SH: Exogenously added free phosphotyrosine induces aggregation of circulating platelets in rabbits. Cell Mol Biol (Noisy-le-grand). 1992 Nov;38(7):719-22. [PubMed:1282059 ]