EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160061 - Lys-Leu-Arg

ChEBI IDCHEBI:160061
ChEBI NameLys-Leu-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H37N7O4
Net Charge0
Average Mass415.539
Monoisotopic Mass415.29070
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C18H37N7O4/c1-11(2)10-14(25-15(26)12(20)6-3-4-8-19)16(27)24-13(17(28)29)7-5-9-23-18(21)22/h11-14H,3-10,19-20H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)(H4,21,22,23)/t12-,13-,14-/m0/s1
InChIKeyOVAOHZIOUBEQCJ-IHRRRGAJSA-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)
Lys-Leu-Arg (CHEBI:160061) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
16572826ChemSpider