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CHEBI:158616 - Ile-Met-Asp

ChEBI IDCHEBI:158616
ChEBI NameIle-Met-Asp
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H27N3O6S
Net Charge0
Average Mass377.463
Monoisotopic Mass377.16206
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C15H27N3O6S/c1-4-8(2)12(16)14(22)17-9(5-6-25-3)13(21)18-10(15(23)24)7-11(19)20/h8-10,12H,4-7,16H2,1-3H3,(H,17,22)(H,18,21)(H,19,20)(H,23,24)/t8-,9-,10-,12-/m0/s1
InChIKeyIALVDKNUFSTICJ-GMOBBJLQSA-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-Asp (CHEBI:158616) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]butanedioic acid