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CHEBI:158494 - Ile-Ile-Asn

ChEBI IDCHEBI:158494
ChEBI NameIle-Ile-Asn
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H30N4O5
Net Charge0
Average Mass358.439
Monoisotopic Mass358.22162
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)CC
InChIInChI=1S/C16H30N4O5/c1-5-8(3)12(18)14(22)20-13(9(4)6-2)15(23)19-10(16(24)25)7-11(17)21/h8-10,12-13H,5-7,18H2,1-4H3,(H2,17,21)(H,19,23)(H,20,22)(H,24,25)/t8-,9-,10-,12-,13-/m0/s1
InChIKeySVBAHOMTJRFSIC-SXTJYALSSA-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-Ile-Asn (CHEBI:158494) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid