EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162552 - Gln-Trp-Ile

ChEBI IDCHEBI:162552
ChEBI NameGln-Trp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31N5O5
Net Charge0
Average Mass445.520
Monoisotopic Mass445.23252
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O
InChIInChI=1S/C22H31N5O5/c1-3-12(2)19(22(31)32)27-21(30)17(26-20(29)15(23)8-9-18(24)28)10-13-11-25-16-7-5-4-6-14(13)16/h4-7,11-12,15,17,19,25H,3,8-10,23H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30)(H,31,32)/t12-,15-,17-,19-/m0/s1
InChIKeyYMCPEHDGTRUOHO-SXNHZJKMSA-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-Trp-Ile (CHEBI:162552) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid