CHEBI:16029 - Nα,Nα-dimethyl-L-histidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nα,Nα-dimethyl-L-histidine
ChEBI ID CHEBI:16029
ChEBI ASCII Name N(alpha),N(alpha)-dimethyl-L-histidine
Definition The Nα,Nα-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 0
Average Mass 183.20784
Monoisotopic Mass 183.101
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 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.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via L-alpha-amino acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Nα,Nα-dimethyl-L-histidine (CHEBI:16029) has role fungal metabolite (CHEBI:76946)
Nα,Nα-dimethyl-L-histidine (CHEBI:16029) is a Nα-methyl-L-histidines (CHEBI:21911)
Nα,Nα-dimethyl-L-histidine (CHEBI:16029) is tautomer of Nα,Nα-dimethyl-L-histidine zwitterion (CHEBI:57610)
Incoming Nα,Nα-dimethyl-L-histidine zwitterion (CHEBI:57610) is tautomer of Nα,Nα-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
Database Links Databases
C04259 KEGG COMPOUND
NALPHANALPHA-DIMETHYL-L-HISTIDINE MetaCyc
View more database links
Registry Numbers Types Sources
24940-57-6 CAS Registry Number KEGG COMPOUND
3607906 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
5438052 PubMed citation Europe PMC
Last Modified
06 February 2014