EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:162354 - Gln-Met-Ile

ChEBI IDCHEBI:162354
ChEBI NameGln-Met-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H30N4O5S
Net Charge0
Average Mass390.506
Monoisotopic Mass390.19369
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O
InChIInChI=1S/C16H30N4O5S/c1-4-9(2)13(16(24)25)20-15(23)11(7-8-26-3)19-14(22)10(17)5-6-12(18)21/h9-11,13H,4-8,17H2,1-3H3,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t9-,10-,11-,13-/m0/s1
InChIKeyDOMHVQBSRJNNKD-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)
Gln-Met-Ile (CHEBI:162354) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-methylpentanoic acid