MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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1-methylnicotinamide

	Properties	Image
MNX_ID	MNXM2172
reference	chebi:16797
formula	C₇H₉N₂O
global charge	1
mol weight	137.162
InChIKey	LDHMAVIPBRSVRG-UHFFFAOYSA-O
InChI	InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
SMILES	C[N+]1=CC=CC(C(N)=O)=C1

MNX internals

InChI (mnx)	InChI=1/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)
SMILES (mnx)	[CH3:1][N+:9]1=[CH:4][CH:2]=[CH:3][C:6]([C:7](=[NH:8])[O-:10])=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-549282 reactomeM:R-ALL-549282 reactome:R-ALL-549298 reactomeM:R-ALL-549298 CHEBI:16797 chebi:16797 LDHMAVIPBRSVRG-UHFFFAOYSA-O	1-methylnicotinamide 1-Methylnicotinamide 1-methyl nicotinamide 1-methylnicotinamide cation 3-(aminocarbonyl)-1-methylpyridinium 3-carbamoyl-1-methylpyridin-1-ium 3-carbamoyl-1-methylpyridinium N(1)-Methylnicotinamide N(1)-methylnicotinamide N-1-methylnicotinamide Trigonellinamide
bigg.metabolite:1mncam biggM:1mncam LDHMAVIPBRSVRG-UHFFFAOYSA-O	1 Methylnicotinamide
sabiork.compound:2583 sabiorkM:2583 LDHMAVIPBRSVRG-UHFFFAOYSA-O	1-Methylnicotinamide
hmdb:HMDB0000699 LDHMAVIPBRSVRG-UHFFFAOYSA-O	1-Methylnicotinamide 1-Methyl nicotinamide 1-Methyl-3-carbamoylpyridinium 1-Methyl-3-carbamoylpyridinium cation 1-Methylnicotinamide cation 1-methylnicotinamide 3-(Aminocarbonyl)-1-methylpyridinium 3-Amido-N-methylpyridinium: 1-methyl-3-pyridinecarboxamide 3-Carbamoyl-1-methyl-pyridinium 3-Carbamoyl-1-methylpyridin-1-ium 3-carbamoyl-1-methylpyridin-1-ium I-methyl nicotinamide N'-methylnicotinamide N'Methylnicotinamide N(1)-Methylnicotinamide N(1)-Methylnicotinamide bromide N(1)-Methylnicotinamide chloride N(1)-Methylnicotinamide cyanide N(1)-Methylnicotinamide fluoride N(1)-Methylnicotinamide iodide N(1)-Methylnicotinamide iodide, 3-(aminocarbonyl-13C)-labeled N(1)-Methylnicotinamide methylsulfate N(1)-Methylnicotinamide perchlorate N(1)-Methylnicotinamide tetrafluoroborate (1-) N-1-Methylnicotinamide N-Methyl-3-carbamidopyridinium N-Methyl-3-carbamoylpyridinium ion N1-Methylnicotinamide Trigonellamide chloride Trigonellinamide
seed.compound:cpd01866 seedM:cpd01866 LDHMAVIPBRSVRG-UHFFFAOYSA-O	1-Methylnicotinamide 1-methylnicotinamide 1mncam N(1)-Methylnicotinamide
kegg.compound:C02918 keggC:C02918 LDHMAVIPBRSVRG-UHFFFAOYSA-O	1-Methylnicotinamide N(1)-Methylnicotinamide
CHEBI:145117 chebi:145117 LDHMAVIPBRSVRG-UHFFFAOYSA-O	1-methyl nicotinamide-d3
metacyc.compound:CPD-396 metacycM:CPD-396 LDHMAVIPBRSVRG-UHFFFAOYSA-O	1-methylnicotinamide
vmhM:1mncam vmhmetabolite:1mncam LDHMAVIPBRSVRG-UHFFFAOYSA-O	1-methylnicotinamide 3-carbamoyl-1-methylpyridin-1-ium
hmdb:HMDB00699 chebi:11267 chebi:18635 chebi:646 biggM:M_1mncam keggC:M_C02918 seedM:M_cpd01866 vmhM:M_1mncam	secondary/obsolete/fantasy identifier