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CHEBI:158762 - Ile-Ser-Trp

ChEBI IDCHEBI:158762
ChEBI NameIle-Ser-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N4O5
Net Charge0
Average Mass404.467
Monoisotopic Mass404.20597
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H28N4O5/c1-3-11(2)17(21)19(27)24-16(10-25)18(26)23-15(20(28)29)8-12-9-22-14-7-5-4-6-13(12)14/h4-7,9,11,15-17,22,25H,3,8,10,21H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)/t11-,15-,16-,17-/m0/s1
InChIKeyJDCQDJVYUXNCGF-SPOWBLRKSA-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)
Ile-Ser-Trp (CHEBI:158762) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid