Phospho-L-tyrosine

HCID 30819CAS 21820-51-9

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Grundinformationen

Standard-SMILES: N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O
InChIKey: DCWXELXMIBXGTH-QMMMGPOBSA-N
Summenformel: C9H12NO6P
Durchschnittliche Molmasse: 261,17 g/mol
Monoisotopische Masse: 261,04022373

Überblick

O(4)-phospho-L-tyrosine is a non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group. It has a role as an immunogen and an Escherichia coli metabolite. It is a L-tyrosine derivative, an O(4)-phosphotyrosine and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of an O(4)-phosphonato-L-tyrosine(2-). It is an enantiomer of an O(4)-phospho-D-tyrosine.

Namen und Bezeichner

Bevorzugter Name: Phospho-L-tyrosine
IUPAC: (2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid
Englischer Name: O-Phospho-L-tyrosine
Summenformel: C9H12NO6P
Molmasse: 261.17

Namen und Synonyme

21820-51-9PhosphonotyrosinePHOSPHOTYROSINEPhospho-L-tyrosine2R86C98KDXDTXSID00176234L-Tyrosine, dihydrogen phosphate (ester)(2S)-2-amino-3-[4-(phosphonooxy)phenyl]propanoic acid(2S)-2-amino-3-(4-(phosphonooxy)phenyl)propanoic acidtyrosine-o-phosphateTyrosine O phosphateRefChem:863006

Weitere Namen anzeigen

p-TyrH-TYR(P)-OHPhospho-TyrH-Tyr(PO3)-OHH-TYR(PO3H2)-OHL-Tyr(H2PO3)-OHH-L-Tyr(PO3H2)-OH

DTXCID9098725O-Phospho-L-tyrosineO-PhosphotyrosineH-Tyr(H2PO3)-OHL-Tyrosine-O-phosphateTyrosine O-phosphateO-phosphono-L-tyrosineL-Phosphotyrosine

Datenbank-Bezeichner

CAS: 21820-51-9
PubChem CID: 30819
DTXSID: DTXSID00176234
ChEMBL: CHEMBL286939
ChEBI: CHEBI:37788
UNII: 2R86C98KDX
EC Number: 891-585-9
Nikkaji: J208.898C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2,8
Polarare Oberfläche (TPSA): 130 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 5
Schwere Atome: 17
Formalladung: 0
Komplexität: 309

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

DrugsPharmaceuticals -> Listed in ZINC15

Physical Description · 2 Einträge

White solid; [Sigma-Aldrich MSDS]

Solid

Collision Cross Section149.33 Å² [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Physikochemische Eigenschaften

Schmelzpunkt: 226 · 226-227°C
Siedepunkt: 521.7 · 521.7±60.0 °C(Predicted)
Dichte: 1.591 · 1.591±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
Löslichkeit: Aqueous Acid (Slightly), Water (Slightly, Sonicated)
Aggregatzustand: Solid
pka: 1.24 · 1.24±0.30(Predicted)
Farbe: White to Off-White
BRN: 3150815 · 3150815
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
InChIKey: DCWXELXMIBXGTH-QMMMGPOBSA-N
SMILES: N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
CAS Datenbank: 21820 · 21820-51-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 04-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34754

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

F: 10-21
wgk: 3
hs_code: 29225090
risk_code: 21/22
hazard_code: Xn
safety_code: 36/37
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

UsesAmino acid found in endogenous proteins; [ChemIDplus]

Anwendungen

VerwendenO-Phospho-L-tyrosine is used in the study of tyrosine-phosphorylation, which has been linked to the malignant transformation of cells by various RNA tumor viruses. Plays a role in signal transduction.