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CHEBI:158294 - Ile-Cys-Asp

ChEBI IDCHEBI:158294
ChEBI NameIle-Cys-Asp
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC13H23N3O6S
Net Charge0
Average Mass349.409
Monoisotopic Mass349.13076
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H23N3O6S/c1-3-6(2)10(14)12(20)16-8(5-23)11(19)15-7(13(21)22)4-9(17)18/h6-8,10,23H,3-5,14H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyCTHAJJYOHOBUDY-GHCJXIJMSA-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)
Ile-Cys-Asp (CHEBI:158294) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulanylpropanoyl]amino]butanedioic acid