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CHEBI:158821 - Ile-Trp-Glu

ChEBI IDCHEBI:158821
ChEBI NameIle-Trp-Glu
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](Cc1cnc2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C22H30N4O6/c1-3-12(2)19(23)21(30)26-17(10-13-11-24-15-7-5-4-6-14(13)15)20(29)25-16(22(31)32)8-9-18(27)28/h4-7,11-12,16-17,19,24H,3,8-10,23H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)(H,31,32)/t12-,16-,17-,19-/m0/s1
InChIKeyRWHRUZORDWZESH-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-Trp-Glu (CHEBI:158821) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid