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CHEBI:158185 - Ile-Arg-Ile

ChEBI IDCHEBI:158185
ChEBI NameIle-Arg-Ile
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H36N6O4
Net Charge0
Average Mass400.524
Monoisotopic Mass400.27980
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C18H36N6O4/c1-5-10(3)13(19)16(26)23-12(8-7-9-22-18(20)21)15(25)24-14(17(27)28)11(4)6-2/h10-14H,5-9,19H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)(H4,20,21,22)/t10-,11-,12-,13-,14-/m0/s1
InChIKeyATXGFMOBVKSOMK-PEDHHIEDSA-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-Arg-Ile (CHEBI:158185) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid