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N(alpha),N(alpha)-dimethyl-L-histidine

PropertiesImage
MNX_IDMNXM3662 Image of MNXM3662
referencechebi:57610
formulaC8H13N3O2
global charge0
mol weight183.211
InChIKeyIMOBSLOLPCWZKQ-ZETCQYMHSA-N
InChIInChI=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
SMILESC[NH+](C)[C@@H](CC1=CNC=N1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM3662
SMILES (mnx)[CH3:1][N:11]([CH3:2])[C@@H:7]([CH2:3][C:6]1=[CH:4][N:9]=[CH:5][NH:10]1)[C:8](=[O:12])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57610
chebi:57610
IMOBSLOLPCWZKQ-ZETCQYMHSA-N 		N(alpha),N(alpha)-dimethyl-L-histidine
(2S)-2-(dimethylazaniumyl)-3-(1H-imidazol-4-yl)propanoate
N(alpha),N(alpha)-dimethyl-L-histidine zwitterion

CHEBI:16029
chebi:16029
IMOBSLOLPCWZKQ-ZETCQYMHSA-N 		N(alpha),N(alpha)-dimethyl-L-histidine
(2S)-2-(dimethylamino)-3-(1H-imidazol-4-yl)propanoic acid
N,N-dimethyl-L-histidine
Nalpha,Nalpha-Dimethyl-L-histidine

kegg.compound:C04259
keggC:C04259
IMOBSLOLPCWZKQ-ZETCQYMHSA-N 		N,N-Dimethylhistidine
Nalpha,Nalpha-Dimethyl-L-histidine

vmhM:nanadmhis
vmhmetabolite:nanadmhis
IMOBSLOLPCWZKQ-ZETCQYMHSA-N 		Nalpha,Nalpha-Dimethyl-L-histidine

seed.compound:cpd02613
seedM:cpd02613
IMOBSLOLPCWZKQ-ZETCQYMHSA-N 		Nalpha,Nalpha-Dimethyl-L-histidine
N,N-Dimethylhistidine
Nalpha,Nalpha-dimethyl-L-histidine
nalpha-nalpha-dimethyl-L-histidine

metacyc.compound:NALPHANALPHA-DIMETHYL-L-HISTIDINE
metacycM:NALPHANALPHA-DIMETHYL-L-HISTIDINE
IMOBSLOLPCWZKQ-ZETCQYMHSA-N 		Nalpha,Nalpha-dimethyl-L-histidine

chebi:12674
chebi:21910
chebi:7461
keggC:M_C04259
seedM:M_cpd02613
vmhM:M_nanadmhis 		secondary/obsolete/fantasy identifier