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CHEBI:158746 - Ile-Ser-Ile

ChEBI IDCHEBI:158746
ChEBI NameIle-Ser-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H29N3O5
Net Charge0
Average Mass331.413
Monoisotopic Mass331.21072
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C15H29N3O5/c1-5-8(3)11(16)14(21)17-10(7-19)13(20)18-12(15(22)23)9(4)6-2/h8-12,19H,5-7,16H2,1-4H3,(H,17,21)(H,18,20)(H,22,23)/t8-,9-,10-,11-,12-/m0/s1
InChIKeyAGGIYSLVUKVOPT-HTFCKZLJSA-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-Ile (CHEBI:158746) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
10442658ChemSpider