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CHEBI:158261 - Ala-Ile-Ile

ChEBI IDCHEBI:158261
ChEBI NameAla-Ile-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H29N3O4
Net Charge0
Average Mass315.414
Monoisotopic Mass315.21581
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)O
InChIInChI=1S/C15H29N3O4/c1-6-8(3)11(17-13(19)10(5)16)14(20)18-12(15(21)22)9(4)7-2/h8-12H,6-7,16H2,1-5H3,(H,17,19)(H,18,20)(H,21,22)/t8-,9-,10-,11-,12-/m0/s1
InChIKeyCFPQUJZTLUQUTJ-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)
Ala-Ile-Ile (CHEBI:158261) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
61712740ChemSpider