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CHEBI:157999 - Ala-Asn-Ile

ChEBI IDCHEBI:157999
ChEBI NameAla-Asn-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](CC(N)=O)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C13H24N4O5/c1-4-6(2)10(13(21)22)17-12(20)8(5-9(15)18)16-11(19)7(3)14/h6-8,10H,4-5,14H2,1-3H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeySTACJSVFHSEZJV-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)
Ala-Asn-Ile (CHEBI:157999) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoic acid