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CHEBI:158169 - Ile-Arg-Arg

ChEBI IDCHEBI:158169
ChEBI NameIle-Arg-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H37N9O4
Net Charge0
Average Mass443.553
Monoisotopic Mass443.29685
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C18H37N9O4/c1-3-10(2)13(19)15(29)26-11(6-4-8-24-17(20)21)14(28)27-12(16(30)31)7-5-9-25-18(22)23/h10-13H,3-9,19H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)(H4,20,21,24)(H4,22,23,25)/t10-,11-,12-,13-/m0/s1
InChIKeyHLYBGMZJVDHJEO-CYDGBPFRSA-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-Arg (CHEBI:158169) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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