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CHEBI:163998 - Thr-Ile-Ser

ChEBI IDCHEBI:163998
ChEBI NameThr-Ile-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25N3O6
Net Charge0
Average Mass319.358
Monoisotopic Mass319.17434
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C13H25N3O6/c1-4-6(2)10(16-11(19)9(14)7(3)18)12(20)15-8(5-17)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
InChIKeyFQPDRTDDEZXCEC-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)
Thr-Ile-Ser (CHEBI:163998) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid