EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:159056 - Arg-Ile-Ile

Default Structure
ChEBI IDCHEBI:159056
ChEBI NameArg-Ile-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H36N6O4
Net Charge0
Average Mass400.524
Monoisotopic Mass400.27980
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)[C@@H](C)CC)C(=O)O
InChIInChI=1S/C18H36N6O4/c1-5-10(3)13(16(26)24-14(17(27)28)11(4)6-2)23-15(25)12(19)8-7-9-22-18(20)21/h10-14H,5-9,19H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)(H4,20,21,22)/t10-,11-,12-,13-,14-/m0/s1
InChIKeyFFEUXEAKYRCACT-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)
Arg-Ile-Ile (CHEBI:159056) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid