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CHEBI:158339 - Ile-Gln-Gln

ChEBI IDCHEBI:158339
ChEBI NameIle-Gln-Gln
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H29N5O6
Net Charge0
Average Mass387.437
Monoisotopic Mass387.21178
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C16H29N5O6/c1-3-8(2)13(19)15(25)20-9(4-6-11(17)22)14(24)21-10(16(26)27)5-7-12(18)23/h8-10,13H,3-7,19H2,1-2H3,(H2,17,22)(H2,18,23)(H,20,25)(H,21,24)(H,26,27)/t8-,9-,10-,13-/m0/s1
InChIKeyLJKDGRWXYUTRSH-YVNDNENWSA-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-Gln (CHEBI:158339) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid