(-)-S-Methyl-L-cysteine

HCID 24417CAS 1187-84-4

基本情報

標準SMILES: CSC[C@H](N)C(=O)O
InChIKey: IDIDJDIHTAOVLG-VKHMYHEASA-N
分子式: C4H9NO2S
平均分子量: 135.19 g/mol
単同位体質量: 135.03539953

概要

S-methylcysteine is a cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group. It has a role as a plant metabolite and a human urinary metabolite. It is a tautomer of a S-methylcysteine zwitterion.

名称と識別子

優先名称: (-)-S-Methyl-L-cysteine
IUPAC: (2R)-2-amino-3-methylsulfanylpropanoic acid

名称と別名

S-Methyl-L-cysteine1187-84-4S-MethylcysteineL-Cysteine, S-methyl-ALANINE, 3-(METHYLTHIO)-, L-(2R)-2-amino-3-(methylsulfanyl)propanoic acid(-)-S-Methyl-L-cysteine(2R)-2-amino-3-methylsulfanylpropanoic acidA34I1H07YMCHEBI:45658NSC-15387RefChem:884264

名称をさらに表示

(2R)-2-azaniumyl-3-methylsulfanylpropanoate214-701-6231-787-07728-98-5H-Cys(Me)-OHS-methyl-cysteineMFCD00002612(R)-2-amino-3-(methylthio)propanoic acid

データベース識別子

CAS: 1187-84-4、19651-44-6、7728-98-5
PubChem CID: 24417
DTXSID: DTXSID50862579
ChEMBL: CHEMBL394875
ChEBI: CHEBI:45658
UNII: A34I1H07YM
EC Number: 214-701-6、231-787-0、243-203-1
Nikkaji: J55.191K

物性

構造計算による物性

XLogP: -2.7
極性表面積: 88.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 86.1

実験および物理化学的性質

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazards SummaryNot considered hazardous by GHS classification; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)