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CHEBI:166409 - Val-Trp-Thr

ChEBI IDCHEBI:166409
ChEBI NameVal-Trp-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N4O5
Net Charge0
Average Mass404.467
Monoisotopic Mass404.20597
SMILESCC(C)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C20H28N4O5/c1-10(2)16(21)19(27)23-15(18(26)24-17(11(3)25)20(28)29)8-12-9-22-14-7-5-4-6-13(12)14/h4-7,9-11,15-17,22,25H,8,21H2,1-3H3,(H,23,27)(H,24,26)(H,28,29)/t11-,15+,16+,17+/m1/s1
InChIKeyOEVFFOBAXHBXKM-HSHDSVGOSA-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-Thr (CHEBI:166409) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid