EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:28050 - homocarnosine

ChEBI IDCHEBI:28050
ChEBI Namehomocarnosine
Stars
DefinitionA histidine derivative that is histidine in which one of the hydrogens attached to the α-amino group has been replaced by a 4-aminobutanoyl group.
Secondary ChEBI IDsCHEBI:5750, CHEBI:24607
Last Modified10 June 2015
DownloadsMolfile
FormulaC10H16N4O3
Net Charge0
Average Mass240.263
Monoisotopic Mass240.12224
SMILESNCCCC(=O)NC(Cc1cncn1)C(=O)O
InChIInChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyCCLQKVKJOGVQLU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
homocarnosine (CHEBI:28050) has functional parent γ-aminobutyric acid (CHEBI:16865)
homocarnosine (CHEBI:28050) has role metabolite (CHEBI:25212)
homocarnosine (CHEBI:28050) is a N-acyl-amino acid (CHEBI:51569)
homocarnosine (CHEBI:28050) is a histidine derivative (CHEBI:24599)
homocarnosine (CHEBI:28050) is a imidazoles (CHEBI:24780)
Incoming Relation(s)
L-homocarnosine (CHEBI:85981) is a homocarnosine (CHEBI:28050)
IUPAC Name 
N-(4-aminobutanoyl)histidine
Synonyms  Source
gamma-Aminobutyryl histidineKEGG COMPOUND
N-(4-aminobutyryl)histidineChEBI
Registry NumbersSources
Reaxys:11612459Reaxys