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CHEBI:166396 - Val-Trp-Asp

ChEBI IDCHEBI:166396
ChEBI NameVal-Trp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N4O6
Net Charge0
Average Mass418.450
Monoisotopic Mass418.18523
SMILESCC(C)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C20H26N4O6/c1-10(2)17(21)19(28)23-14(18(27)24-15(20(29)30)8-16(25)26)7-11-9-22-13-6-4-3-5-12(11)13/h3-6,9-10,14-15,17,22H,7-8,21H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t14-,15-,17-/m0/s1
InChIKeySUGRIIAOLCDLBD-ZOBUZTSGSA-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)
Val-Trp-Asp (CHEBI:166396) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid