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CHEBI:158514 - Ile-Ile-Met

ChEBI IDCHEBI:158514
ChEBI NameIle-Ile-Met
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H33N3O4S
Net Charge0
Average Mass375.535
Monoisotopic Mass375.21918
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)CC
InChIInChI=1S/C17H33N3O4S/c1-6-10(3)13(18)15(21)20-14(11(4)7-2)16(22)19-12(17(23)24)8-9-25-5/h10-14H,6-9,18H2,1-5H3,(H,19,22)(H,20,21)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
InChIKeyMTONDYJJCIBZTK-PEDHHIEDSA-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-Ile-Met (CHEBI:158514) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulanylbutanoic acid