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CHEBI:158618 - Ile-Met-Cys

ChEBI IDCHEBI:158618
ChEBI NameIle-Met-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N3O4S2
Net Charge0
Average Mass365.521
Monoisotopic Mass365.14430
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C14H27N3O4S2/c1-4-8(2)11(15)13(19)16-9(5-6-23-3)12(18)17-10(7-22)14(20)21/h8-11,22H,4-7,15H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyVUPHVQCDULLACF-NAKRPEOUSA-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-Met-Cys (CHEBI:158618) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-sulanylpropanoic acid