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CHEBI:158177 - Ile-Arg-Gln

Default Structure
ChEBI IDCHEBI:158177
ChEBI NameIle-Arg-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H33N7O5
Net Charge0
Average Mass415.495
Monoisotopic Mass415.25432
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C17H33N7O5/c1-3-9(2)13(19)15(27)23-10(5-4-8-22-17(20)21)14(26)24-11(16(28)29)6-7-12(18)25/h9-11,13H,3-8,19H2,1-2H3,(H2,18,25)(H,23,27)(H,24,26)(H,28,29)(H4,20,21,22)/t9-,10-,11-,13-/m0/s1
InChIKeyASCFJMSGKUIRDU-ZPFDUUQYSA-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-Gln (CHEBI:158177) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid