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CHEBI:158567 - Ala-Trp-Asp

Default Structure
ChEBI IDCHEBI:158567
ChEBI NameAla-Trp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N4O6
Net Charge0
Average Mass390.396
Monoisotopic Mass390.15393
SMILESC[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C18H22N4O6/c1-9(19)16(25)21-13(17(26)22-14(18(27)28)7-15(23)24)6-10-8-20-12-5-3-2-4-11(10)12/h2-5,8-9,13-14,20H,6-7,19H2,1H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t9-,13-,14-/m0/s1
InChIKeyFSXDWQGEWZQBPJ-HERUPUMHSA-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-Asp (CHEBI:158567) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid