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CHEBI:158622 - Ile-Met-Glu

ChEBI IDCHEBI:158622
ChEBI NameIle-Met-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H29N3O6S
Net Charge0
Average Mass391.490
Monoisotopic Mass391.17771
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C16H29N3O6S/c1-4-9(2)13(17)15(23)18-10(7-8-26-3)14(22)19-11(16(24)25)5-6-12(20)21/h9-11,13H,4-8,17H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,10-,11-,13-/m0/s1
InChIKeyRCMNUBZKIIJCOI-ZPFDUUQYSA-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-Glu (CHEBI:158622) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]pentanedioic acid