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CHEBI:158599 - Ala-Trp-Val

Default Structure
ChEBI IDCHEBI:158599
ChEBI NameAla-Trp-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26N4O4
Net Charge0
Average Mass374.441
Monoisotopic Mass374.19541
SMILESCC(C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C19H26N4O4/c1-10(2)16(19(26)27)23-18(25)15(22-17(24)11(3)20)8-12-9-21-14-7-5-4-6-13(12)14/h4-7,9-11,15-16,21H,8,20H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)/t11-,15-,16-/m0/s1
InChIKeyXPBVBZPVNFIHOA-UVBJJODRSA-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-Trp-Val (CHEBI:158599) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
Manual XrefsDatabases
57558032ChemSpider