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CHEBI:158620 - Ile-Met-Gln

ChEBI IDCHEBI:158620
ChEBI NameIle-Met-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H30N4O5S
Net Charge0
Average Mass390.506
Monoisotopic Mass390.19369
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C16H30N4O5S/c1-4-9(2)13(18)15(23)19-10(7-8-26-3)14(22)20-11(16(24)25)5-6-12(17)21/h9-11,13H,4-8,18H2,1-3H3,(H2,17,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,11-,13-/m0/s1
InChIKeyIMRKCLXPYOIHIF-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-Gln (CHEBI:158620) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]-5-oxopentanoic acid