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CHEBI:158277 - Ala-Ile-Trp

ChEBI IDCHEBI:158277
ChEBI NameAla-Ile-Trp
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N4O4
Net Charge0
Average Mass388.468
Monoisotopic Mass388.21106
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H28N4O4/c1-4-11(2)17(24-18(25)12(3)21)19(26)23-16(20(27)28)9-13-10-22-15-8-6-5-7-14(13)15/h5-8,10-12,16-17,22H,4,9,21H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)/t11-,12-,16-,17-/m0/s1
InChIKeyQJABSQFUHKHTNP-SYWGBEHUSA-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)
Ala-Ile-Trp (CHEBI:158277) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid