EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:158312 - Ile-Cys-Met

Default Structure
ChEBI IDCHEBI:158312
ChEBI NameIle-Cys-Met
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](CS)C(=O)N[C@@H](CCSC)C(=O)O
InChIInChI=1S/C14H27N3O4S2/c1-4-8(2)11(15)13(19)17-10(7-22)12(18)16-9(14(20)21)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
InChIKeySRGRINJFBHKHAC-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-Cys-Met (CHEBI:158312) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulanylpropanoyl]amino]-4-methylsulanylbutanoic acid