Phospho-L-tyrosine
기본 정보
- CAS
21820-51-9- 표준 SMILES
N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O- InChIKey
DCWXELXMIBXGTH-QMMMGPOBSA-N- 분자식
- C9H12NO6P
- 평균 분자량
- 261.17 g/mol
- 단동위원소 질량
- 261.04022373
개요
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.
이름 및 식별자
- 우선 이름
- Phospho-L-tyrosine
- IUPAC
- (2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid
- 영어명
- O-Phospho-L-tyrosine
- 분자식
- C9H12NO6P
- 분자량
- 261.17
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
21820-51-9- PubChem CID
- 30819
- DTXSID
DTXSID00176234- ChEMBL
CHEMBL286939- ChEBI
CHEBI:37788
물성
구조 계산 물성
- XLogP
- -2.8
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 309
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
Physical Description
White solid; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section149.33 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
물리화학적 성질
- 녹는점
- 226 · 226-227°C
- 끓는 점
- 521.7 · 521.7±60.0 °C(Predicted)
- 밀도
- 1.591 · 1.591±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 산성 용액(약간 용해됨), 물(약간 용해됨, 초음파처리)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 1.24 · 1.24±0.30(Predicted)
- 색상
- 흰색에서 황백색까지
- 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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.
유해성 정보
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
안전 데이터
- wgk
- 3
- HS 번호
- 29225090
- risk_code
- 21/22
- hazard_code
- Xn
- safety_code
- 36/37
- F 고인화성물질
- 10-21
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesAmino acid found in endogenous proteins; [ChemIDplus]
응용 분야
용도O-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.
추가 설명
정의ChEBI: A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group.
관련 반응
3건
화합물 노트
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