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CHEBI:160624 - Met-Cys-Ile

ChEBI IDCHEBI:160624
ChEBI NameMet-Cys-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N3O4S2
Net Charge0
Average Mass365.521
Monoisotopic Mass365.14430
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCSC)C(=O)O
InChIInChI=1S/C14H27N3O4S2/c1-4-8(2)11(14(20)21)17-13(19)10(7-22)16-12(18)9(15)5-6-23-3/h8-11,22H,4-7,15H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyGTRWUQSSISWRTL-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)
Met-Cys-Ile (CHEBI:160624) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-sulanylpropanoyl]amino]-3-methylpentanoic acid