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CHEBI:161084 - Cys-Ala-Ile

ChEBI IDCHEBI:161084
ChEBI NameCys-Ala-Ile
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O4S
Net Charge0
Average Mass305.400
Monoisotopic Mass305.14093
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C12H23N3O4S/c1-4-6(2)9(12(18)19)15-10(16)7(3)14-11(17)8(13)5-20/h6-9,20H,4-5,13H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)/t6-,7-,8-,9-/m0/s1
InChIKeyFMDCYTBSPZMPQE-JBDRJPRFSA-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-Ala-Ile (CHEBI:161084) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]propanoyl]amino]-3-methylpentanoic acid