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CHEBI:158368 - Ile-Gln-Val

ChEBI IDCHEBI:158368
ChEBI NameIle-Gln-Val
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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](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C16H30N4O5/c1-5-9(4)12(18)15(23)19-10(6-7-11(17)21)14(22)20-13(8(2)3)16(24)25/h8-10,12-13H,5-7,18H2,1-4H3,(H2,17,21)(H,19,23)(H,20,22)(H,24,25)/t9-,10-,12-,13-/m0/s1
InChIKeyDVRDRICMWUSCBN-UKJIMTQDSA-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-Gln-Val (CHEBI:158368) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoic acid