EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158404 - Ile-Glu-Trp

ChEBI IDCHEBI:158404
ChEBI NameIle-Glu-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30N4O6
Net Charge0
Average Mass446.504
Monoisotopic Mass446.21653
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C22H30N4O6/c1-3-12(2)19(23)21(30)25-16(8-9-18(27)28)20(29)26-17(22(31)32)10-13-11-24-15-7-5-4-6-14(13)15/h4-7,11-12,16-17,19,24H,3,8-10,23H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)(H,31,32)/t12-,16-,17-,19-/m0/s1
InChIKeyLEHPJMKVGFPSSP-ZQINRCPSSA-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-Glu-Trp (CHEBI:158404) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
8022114ChemSpider
Registry NumbersSources
CAS:182295-87-0ChemIDplus