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CHEBI:160941 - Asp-Thr-Trp

ChEBI IDCHEBI:160941
ChEBI NameAsp-Thr-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N4O7
Net Charge0
Average Mass420.422
Monoisotopic Mass420.16450
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C19H24N4O7/c1-9(24)16(23-17(27)12(20)7-15(25)26)18(28)22-14(19(29)30)6-10-8-21-13-5-3-2-4-11(10)13/h2-5,8-9,12,14,16,21,24H,6-7,20H2,1H3,(H,22,28)(H,23,27)(H,25,26)(H,29,30)/t9-,12+,14+,16+/m1/s1
InChIKeyKCOPOPKJRHVGPE-AQZXSJQPSA-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)
Asp-Thr-Trp (CHEBI:160941) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S,3R)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid