N(alpha),N(alpha)-dimethyl-L-histidine (CHEBI:16029)

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ChEBI Name	N^α,N^α-dimethyl-L-histidine

ChEBI ID	CHEBI:16029

ChEBI ASCII Name	N(alpha),N(alpha)-dimethyl-L-histidine

Definition	The N^α,N^α-dimethyl derivative of L-histidine.

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

Secondary ChEBI IDs	CHEBI:12674, CHEBI:7461, CHEBI:21910

Supplier Information

Download	Molfile XML SDF

Formula

C8H13N3O2

Net Charge

Average Mass

183.20784

Monoisotopic Mass

183.10078

InChI

InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1

InChIKey

IMOBSLOLPCWZKQ-ZETCQYMHSA-N

SMILES

CN(C)[C@@H](Cc1c[nH]cn1)C(O)=O

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

Biological Role(s):	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.

ChEBI Ontology
Outgoing	N^α,N^α-dimethyl-L-histidine (CHEBI:16029) has role fungal metabolite (CHEBI:76946) N^α,N^α-dimethyl-L-histidine (CHEBI:16029) is a N^α-methyl-L-histidines (CHEBI:21911) N^α,N^α-dimethyl-L-histidine (CHEBI:16029) is tautomer of N^α,N^α-dimethyl-L-histidine zwitterion (CHEBI:57610)

Incoming	N^α,N^α-dimethyl-L-histidine zwitterion (CHEBI:57610) is tautomer of N^α,N^α-dimethyl-L-histidine (CHEBI:16029)

IUPAC Names

(2S)-2-(dimethylamino)-3-(1H-imidazol-4-yl)propanoic acid

N,N-dimethyl-L-histidine

Synonym	Source
Nalpha,Nalpha-Dimethyl-L-histidine	KEGG COMPOUND

Manual Xrefs	Databases
C04259	KEGG COMPOUND
NALPHANALPHA-DIMETHYL-L-HISTIDINE	MetaCyc
View more database links

Citation	Type	Source
5438052	PubMed citation	Europe PMC

Last Modified

06 February 2014