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

HCID 595CAS 56-89-3

Grundinformationen

Standard-SMILES
NC(CSSCC(N)C(=O)O)C(=O)O
InChIKey
LEVWYRKDKASIDU-UHFFFAOYSA-N
Summenformel
C6H12N2O4S2
Durchschnittliche Molmasse
240,3 g/mol
Monoisotopische Masse
240,02384886

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate
IUPAC
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid

Namen und Synonyme

RefChem:10622742-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)PropanoateDL-CYSTINE923-32-0MFCD00084652Cystine_RamanathanGurudeeban.beta.,.beta.'-DithiodialanineCAS_595NSC_67678NSC203781NCGC00164531-03(H-Cys-OH)
Weitere Namen anzeigen
(+/-)-3,3'-Dithiobis(2-aminopropionicacid)Bis(.beta.-amino-.beta.-carboxyethyl)disulfideBis(.beta.-amino-.beta.-carboxyethyl) disulfide5228F255-51E7-421E-8A05-4687B20118CBCarbocisteine Impurity 4NSC 13203NSC-203781Zystin

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-6,3
Polarare Oberfläche (TPSA)
177 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
7
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

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 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazards SummaryAn irritant; Harmful by ingestion; [Acros Organics MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (20%)

Chemie und Industrie

Verwendung und Herstellung

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

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