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CHEBI:161825 - Cys-Val-Asn

ChEBI IDCHEBI:161825
ChEBI NameCys-Val-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N4O5S
Net Charge0
Average Mass334.398
Monoisotopic Mass334.13109
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C12H22N4O5S/c1-5(2)9(16-10(18)6(13)4-22)11(19)15-7(12(20)21)3-8(14)17/h5-7,9,22H,3-4,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,9-/m0/s1
InChIKeyJRZMCSIUYGSJKP-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-Val-Asn (CHEBI:161825) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid