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CHEBI:166117 - Val-Asp-Cys

ChEBI IDCHEBI:166117
ChEBI NameVal-Asp-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6S
Net Charge0
Average Mass335.382
Monoisotopic Mass335.11511
SMILESCC(C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C12H21N3O6S/c1-5(2)9(13)11(19)14-6(3-8(16)17)10(18)15-7(4-22)12(20)21/h5-7,9,22H,3-4,13H2,1-2H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,9-/m0/s1
InChIKeyKXUKIBHIVRYOIP-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)
Val-Asp-Cys (CHEBI:166117) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-[[(1R)-1-carboxy-2-sulanylethyl]amino]-4-oxobutanoic acid