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CHEBI:164842 - Trp-Ser-Ile

ChEBI IDCHEBI:164842
ChEBI NameTrp-Ser-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N4O5
Net Charge0
Average Mass404.467
Monoisotopic Mass404.20597
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H28N4O5/c1-3-11(2)17(20(28)29)24-19(27)16(10-25)23-18(26)14(21)8-12-9-22-15-7-5-4-6-13(12)15/h4-7,9,11,14,16-17,22,25H,3,8,10,21H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)/t11-,14-,16-,17-/m0/s1
InChIKeyUMIACFRBELJMGT-GQGQLFGLSA-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)
Trp-Ser-Ile (CHEBI:164842) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid