Basic information
- Standard SMILES
NC(CSSCC(N)C(=O)O)C(=O)O- InChIKey
LEVWYRKDKASIDU-UHFFFAOYSA-N- Molecular formula
- C6H12N2O4S2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.02384886
Overview
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.
Names & identifiers
- Preferred name
- 2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate
- IUPAC
- 2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid
Names & synonyms
RefChem:10622742-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)PropanoateDL-CYSTINE923-32-0MFCD00084652Cystine_RamanathanGurudeeban.beta.,.beta.'-DithiodialanineCAS_595NSC_67678NSC203781NCGC00164531-03(H-Cys-OH)
Show more names
(+/-)-3,3'-Dithiobis(2-aminopropionicacid)Bis(.beta.-amino-.beta.-carboxyethyl)disulfideBis(.beta.-amino-.beta.-carboxyethyl) disulfide5228F255-51E7-421E-8A05-4687B20118CBCarbocisteine Impurity 4NSC 13203NSC-203781Zystin
Database identifiers
- 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
Properties
Computed structural properties
- XLogP
- -6.3
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
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]
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Hazards SummaryAn irritant; Harmful by ingestion; [Acros Organics MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Chemistry & industry
Uses & manufacturing
UsesA non-essential amino acid; [Merck Index] Used as a flavoring agent, dough strengthener, and nutritional supplement for foods; [FDA]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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