CHEBI:85981 - L-homocarnosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-homocarnosine
ChEBI ID CHEBI:85981
ChEBI ASCII Name L-homocarnosine
Definition A homocarnosine that has S configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H16N4O3
Net Charge 0
Average Mass 240.25900
Monoisotopic Mass 240.12224
InChI InChI=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)/t8-/m0/s1
InChIKey CCLQKVKJOGVQLU-QMMMGPOBSA-N
SMILES NCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via homocarnosine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing L-homocarnosine (CHEBI:85981) has role human metabolite (CHEBI:77746)
L-homocarnosine (CHEBI:85981) is a N-acyl-L-α-amino acid (CHEBI:48927)
L-homocarnosine (CHEBI:85981) is a L-histidine derivative (CHEBI:84076)
L-homocarnosine (CHEBI:85981) is a dipeptide (CHEBI:46761)
L-homocarnosine (CHEBI:85981) is a homocarnosine (CHEBI:28050)
L-homocarnosine (CHEBI:85981) is tautomer of L-homocarnosine zwitterion (CHEBI:143075)
Incoming L-homocarnosine zwitterion (CHEBI:143075) is tautomer of L-homocarnosine (CHEBI:85981)
IUPAC Name
N-(4-aminobutanoyl)-L-histidine
Synonyms Sources
(2S)-homocarnosine ChEBI
(S)-homocarnosine ChEBI
γ-aminobutyryl-L-His ChEBI
homocarnosine
Note: (2015-06-10) Name is ambiguous - it does not define the stereochemistry.
 ChEBI
N-(4-aminobutanoyl)-(S)-histidine ChEBI
N-(4-aminobutyryl)-L-histidine ChEBI
Nα-(4-aminobutyryl)-L-histidine ChEBI
Manual Xrefs Databases
C00884 KEGG COMPOUND
CPD-12185 MetaCyc
HMDB0000745 HMDB
View more database links
Registry Numbers Types Sources
24662 Reaxys Registry Number Reaxys
3650-73-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1266573 PubMed citation Europe PMC
16341596 PubMed citation Europe PMC
4653133 PubMed citation Europe PMC
Last Modified
28 February 2019