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

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CHEBI:16029 - N^α,N^α-dimethyl-L-histidine

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ChEBI ID	CHEBI:16029
ChEBI Name	N^α,N^α-dimethyl-L-histidine
Stars
ASCII Name	N(alpha),N(alpha)-dimethyl-L-histidine
Definition	The N^α,N^α-dimethyl derivative of L-histidine.
Secondary ChEBI IDs	CHEBI:7461, CHEBI:12674, CHEBI:21910
Last Modified	6 February 2014
Downloads	Molfile

Formula	C8H13N3O2
Net Charge	0
Average Mass	183.211
Monoisotopic Mass	183.10078
SMILES	CN(C)[C@@H](Cc1cncn1)C(=O)O
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

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	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 Relation(s)
	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 Relation(s)
	N^α,N^α-dimethyl-L-histidine zwitterion (CHEBI:57610) is tautomer of N^α,N^α-dimethyl-L-histidine (CHEBI:16029)

IUPAC Names
N,N-dimethyl-L-histidine
(2S)-2-(dimethylamino)-3-(1H-imidazol-4-yl)propanoic acid

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

Manual Xrefs	Databases
C04259	KEGG COMPOUND
NALPHANALPHA-DIMETHYL-L-HISTIDINE	MetaCyc

Registry Numbers	Sources
Reaxys:3607906	Reaxys
CAS:24940-57-6	KEGG COMPOUND

Citations