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CHEBI:18323 - anserine

ChEBI IDCHEBI:18323
ChEBI Nameanserine
Stars
DefinitionA dipeptide comprising of β-alanine and 3-methyl-L-histidine units.
Secondary ChEBI IDsCHEBI:10349, CHEBI:13836, CHEBI:22828
Last Modified27 January 2016
DownloadsMolfile
FormulaC10H16N4O3
Net Charge0
Average Mass240.263
Monoisotopic Mass240.12224
SMILESCn1cncc1C[C@H](NC(=O)CCN)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeyMYYIAHXIVFADCU-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) - PubMed (24211545)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
anserine (CHEBI:18323) has role animal metabolite (CHEBI:75767)
anserine (CHEBI:18323) has role mouse metabolite (CHEBI:75771)
anserine (CHEBI:18323) is a dipeptide (CHEBI:46761)
anserine (CHEBI:18323) is a β-alanine derivative (CHEBI:22823)
anserine (CHEBI:18323) is tautomer of anserine zwitterion (CHEBI:58445)
Incoming Relation(s)
anserine zwitterion (CHEBI:58445) is tautomer of anserine (CHEBI:18323)
IUPAC Name 
Nα-(β-alanyl)-Nπ-methylhistidine
Synonyms  Source
beta-Alanyl-N(pai)-methyl-L-histidineKEGG COMPOUND
AnserineKEGG COMPOUND
β-alanyl-3-methyl-L-histidineIUPAC
Manual XrefsDatabases
C01262KEGG COMPOUND
HMDB0000194HMDB
CPD-401MetaCyc
Registry NumbersSources
Reaxys:89932Reaxys
CAS:584-85-0KEGG COMPOUND
CAS:584-85-0ChemIDplus
Citations