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CHEBI:158173 - Ile-Arg-Asp

ChEBI IDCHEBI:158173
ChEBI NameIle-Arg-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H30N6O6
Net Charge0
Average Mass402.452
Monoisotopic Mass402.22268
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C16H30N6O6/c1-3-8(2)12(17)14(26)21-9(5-4-6-20-16(18)19)13(25)22-10(15(27)28)7-11(23)24/h8-10,12H,3-7,17H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)(H4,18,19,20)/t8-,9-,10-,12-/m0/s1
InChIKeySACHLUOUHCVIKI-GMOBBJLQSA-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-Asp (CHEBI:158173) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid