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CHEBI:159492 - Asn-Ala-Ile

ChEBI IDCHEBI:159492
ChEBI NameAsn-Ala-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24N4O5
Net Charge0
Average Mass316.358
Monoisotopic Mass316.17467
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C13H24N4O5/c1-4-6(2)10(13(21)22)17-11(19)7(3)16-12(20)8(14)5-9(15)18/h6-8,10H,4-5,14H2,1-3H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyCMLGVVWQQHUXOZ-GHCJXIJMSA-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)
Asn-Ala-Ile (CHEBI:159492) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]-3-methylpentanoic acid