EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:161184 - Cys-Asn-Val

ChEBI IDCHEBI:161184
ChEBI NameCys-Asn-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N4O5S
Net Charge0
Average Mass334.398
Monoisotopic Mass334.13109
SMILESCC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C12H22N4O5S/c1-5(2)9(12(20)21)16-11(19)7(3-8(14)17)15-10(18)6(13)4-22/h5-7,9,22H,3-4,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/t6-,7-,9-/m0/s1
InChIKeyNDUSUIGBMZCOIL-ZKWXMUAHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cys-Asn-Val (CHEBI:161184) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoic acid