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CHEBI:158591 - Ala-Trp-Ser

ChEBI IDCHEBI:158591
ChEBI NameAla-Trp-Ser
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N4O5
Net Charge0
Average Mass362.386
Monoisotopic Mass362.15902
SMILESC[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C17H22N4O5/c1-9(18)15(23)20-13(16(24)21-14(8-22)17(25)26)6-10-7-19-12-5-3-2-4-11(10)12/h2-5,7,9,13-14,19,22H,6,8,18H2,1H3,(H,20,23)(H,21,24)(H,25,26)/t9-,13-,14-/m0/s1
InChIKeyTVUFMYKTYXTRPY-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-Ser (CHEBI:158591) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoic acid