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CHEBI:160947 - Asp-Trp-Ala

ChEBI IDCHEBI:160947
ChEBI NameAsp-Trp-Ala
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N4O6
Net Charge0
Average Mass390.396
Monoisotopic Mass390.15393
SMILESC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C18H22N4O6/c1-9(18(27)28)21-17(26)14(22-16(25)12(19)7-15(23)24)6-10-8-20-13-5-3-2-4-11(10)13/h2-5,8-9,12,14,20H,6-7,19H2,1H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)/t9-,12-,14-/m0/s1
InChIKeyXOASPVGNFAMYBD-WFBYXXMGSA-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-Trp-Ala (CHEBI:160947) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid