anserine (CHEBI:18323)

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ChEBI Name	anserine

ChEBI ID	CHEBI:18323

Definition	A dipeptide comprising of β-alanine and 3-methyl-L-histidine units.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:10349, CHEBI:13836, CHEBI:22828

Supplier Information	ChemicalBook:CB1875454, eMolecules:30152603, ZINC000001532910

Download	Molfile XML SDF

Formula

C10H16N4O3

Net Charge

Average Mass

240.25920

Monoisotopic Mass

240.12224

InChI

InChI=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

InChIKey

MYYIAHXIVFADCU-QMMMGPOBSA-N

SMILES

Cn1cncc1C[C@H](NC(=O)CCN)C(O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Bos taurus (NCBI:txid9913)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology
Outgoing	anserine (CHEBI:18323) has role animal metabolite (CHEBI:75767) anserine (CHEBI:18323) has role mouse metabolite (CHEBI:75771) anserine (CHEBI:18323) is a β-alanine derivative (CHEBI:22823) anserine (CHEBI:18323) is a dipeptide (CHEBI:46761) anserine (CHEBI:18323) is tautomer of anserine zwitterion (CHEBI:58445)

Incoming	anserine zwitterion (CHEBI:58445) is tautomer of anserine (CHEBI:18323)

IUPAC Name

N^α-(β-alanyl)-N^π-methylhistidine

Synonyms	Sources
Anserine	KEGG COMPOUND
β-alanyl-3-methyl-L-histidine	IUPAC
beta-Alanyl-N(pai)-methyl-L-histidine	KEGG COMPOUND

Citations

Last Modified

27 January 2016