EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158191 - Ile-Arg-Met

ChEBI IDCHEBI:158191
ChEBI NameIle-Arg-Met
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H34N6O4S
Net Charge0
Average Mass418.564
Monoisotopic Mass418.23622
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)O
InChIInChI=1S/C17H34N6O4S/c1-4-10(2)13(18)15(25)22-11(6-5-8-21-17(19)20)14(24)23-12(16(26)27)7-9-28-3/h10-13H,4-9,18H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)(H4,19,20,21)/t10-,11-,12-,13-/m0/s1
InChIKeyUNDGQKWQNSTPPW-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-Met (CHEBI:158191) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulanylbutanoic acid