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CHEBI:158760 - Ile-Ser-Thr

ChEBI IDCHEBI:158760
ChEBI NameIle-Ser-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25N3O6
Net Charge0
Average Mass319.358
Monoisotopic Mass319.17434
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C13H25N3O6/c1-4-6(2)9(14)12(20)15-8(5-17)11(19)16-10(7(3)18)13(21)22/h6-10,17-18H,4-5,14H2,1-3H3,(H,15,20)(H,16,19)(H,21,22)/t6-,7+,8-,9-,10-/m0/s1
InChIKeyRQJUKVXWAKJDBW-SVSWQMSJSA-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-Thr (CHEBI:158760) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoic acid