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CHEBI:158130 - Ile-Ala-Asn

ChEBI IDCHEBI:158130
ChEBI NameIle-Ala-Asn
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24N4O5
Net Charge0
Average Mass316.358
Monoisotopic Mass316.17467
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C13H24N4O5/c1-4-6(2)10(15)12(20)16-7(3)11(19)17-8(13(21)22)5-9(14)18/h6-8,10H,4-5,15H2,1-3H3,(H2,14,18)(H,16,20)(H,17,19)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyLQSBBHNVAVNZSX-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)
Ile-Ala-Asn (CHEBI:158130) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoic acid