EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162817 - Glu-Cys-Ile

ChEBI IDCHEBI:162817
ChEBI NameGlu-Cys-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N3O6S
Net Charge0
Average Mass363.436
Monoisotopic Mass363.14641
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
InChIInChI=1S/C14H25N3O6S/c1-3-7(2)11(14(22)23)17-13(21)9(6-24)16-12(20)8(15)4-5-10(18)19/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)(H,22,23)/t7-,8-,9-,11-/m0/s1
InChIKeyXKPOCESCRTVRPL-KBIXCLLPSA-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)
Glu-Cys-Ile (CHEBI:162817) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-sulanylpropanoyl]amino]-3-methylpentanoic acid