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CHEBI:162407 - Pro-Ile-Ser

Default Structure
ChEBI IDCHEBI:162407
ChEBI NamePro-Ile-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N3O5
Net Charge0
Average Mass315.370
Monoisotopic Mass315.17942
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C14H25N3O5/c1-3-8(2)11(13(20)16-10(7-18)14(21)22)17-12(19)9-5-4-6-15-9/h8-11,15,18H,3-7H2,1-2H3,(H,16,20)(H,17,19)(H,21,22)/t8-,9-,10-,11-/m0/s1
InChIKeyUREQLMJCKFLLHM-NAKRPEOUSA-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)
Pro-Ile-Ser (CHEBI:162407) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-3-hydroxy-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid