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CHEBI:158273 - Ala-Ile-Ser

ChEBI IDCHEBI:158273
ChEBI NameAla-Ile-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O5
Net Charge0
Average Mass289.332
Monoisotopic Mass289.16377
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-4-6(2)9(15-10(17)7(3)13)11(18)14-8(5-16)12(19)20/h6-9,16H,4-5,13H2,1-3H3,(H,14,18)(H,15,17)(H,19,20)/t6-,7-,8-,9-/m0/s1
InChIKeyVNYMOTCMNHJGTG-JBDRJPRFSA-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)
Ala-Ile-Ser (CHEBI:158273) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid