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CHEBI:158378 - Ile-Glu-Cys

ChEBI IDCHEBI:158378
ChEBI NameIle-Glu-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N3O6S
Net Charge0
Average Mass363.436
Monoisotopic Mass363.14641
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C14H25N3O6S/c1-3-7(2)11(15)13(21)16-8(4-5-10(18)19)12(20)17-9(6-24)14(22)23/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t7-,8-,9-,11-/m0/s1
InChIKeyQRTVJGKXFSYJGW-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)
Ile-Glu-Cys (CHEBI:158378) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-[[(1R)-1-carboxy-2-sulanylethyl]amino]-5-oxopentanoic acid