2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate

HCID 595CAS 56-89-3

基本情報

標準SMILES: NC(CSSCC(N)C(=O)O)C(=O)O
InChIKey: LEVWYRKDKASIDU-UHFFFAOYSA-N
分子式: C6H12N2O4S2
平均分子量: 240.3 g/mol
単同位体質量: 240.02384886

概要

Cystine is a sulfur-containing amino acid obtained by the oxidation of two cysteine molecules which are then linked via a disulfide bond. It has a role as a mouse metabolite and a human metabolite. It is a cysteine derivative, a sulfur-containing amino acid and an organic disulfide. It is a tautomer of a cystine zwitterion.

名称と識別子

優先名称: 2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate
IUPAC: 2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid

名称と別名

RefChem:10622742-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)PropanoateDL-CYSTINE923-32-0MFCD00084652Cystine_RamanathanGurudeeban.beta.,.beta.'-DithiodialanineCAS_595NSC_67678NSC203781NCGC00164531-03(H-Cys-OH)

名称をさらに表示

(+/-)-3,3'-Dithiobis(2-aminopropionicacid)Bis(.beta.-amino-.beta.-carboxyethyl)disulfideBis(.beta.-amino-.beta.-carboxyethyl) disulfide5228F255-51E7-421E-8A05-4687B20118CBCarbocisteine Impurity 4NSC 13203NSC-203781Zystin

データベース識別子

CAS: 56-89-3、923-32-0
PubChem CID: 595
DTXSID: DTXSID50859005
ChEMBL: CHEMBL366563
ChEBI: CHEBI:17376
EC Number: 213-094-5
Nikkaji: J1.319F

物性

構造計算による物性

XLogP: -6.3
極性表面積: 177 Å²
水素結合供与体数: 4
水素結合受容体数: 8
回転可能結合数: 7
重原子数: 14
形式電荷: 0
複雑度: 192

実験および物理化学的性質

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

Food AdditivesDOUGH STRENGTHENER, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food

Physical DescriptionSolid; [Merck Index] Off-white solid; [Acros Organics MSDS]

Collision Cross Section150.71 Å² [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazards SummaryAn irritant; Harmful by ingestion; [Acros Organics MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (20%)

化学と産業

用途と製造

UsesA non-essential amino acid; [Merck Index] Used as a flavoring agent, dough strengthener, and nutritional supplement for foods; [FDA]