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

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nicotinate

	Properties	Image
MNX_ID	MNXM274
reference	chebi:32544
formula	C₆H₄NO₂
global charge	-1
mol weight	122.103
InChIKey	PVNIIMVLHYAWGP-UHFFFAOYSA-M
InChI	InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1
SMILES	O=C([O-])C1=CN=CC=C1

MNX internals

InChI (mnx)	InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
SMILES (mnx)	[CH:1]1=[CH:2][C:5]([C:6](=[O:8])[OH:9])=[CH:4][N:7]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	56
in models (compartimentalized)	27

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-8869604 reactomeM:R-ALL-8869604 CHEBI:32544 chebi:32544 PVNIIMVLHYAWGP-UHFFFAOYSA-M	nicotinate 3-pyridinecarboxylate pyridine-3-carboxylate
kegg.drug:D00049 keggD:D00049 PVNIIMVLHYAWGP-UHFFFAOYSA-N	Niacin (USP) Niacor (TN) Niaspan (TN) Nicotinic acid (JP18/INN)
seed.compound:cpd00218 seedM:cpd00218 PVNIIMVLHYAWGP-UHFFFAOYSA-M	Niacin 3-Pyridinecarboxylic acid 3-pyridinecarboxylate 3-pyridinecarboxylic acid Nicotinate Nicotinic acid nac niacin niacine nicamin nico-400- nicobid nicocap nicolar nicotinate nicotinic acid pyridine-3-carboxylate vitamin B3 wampocap
bigg.metabolite:nac biggM:nac bigg.metabolite:nicnt biggM:nicnt PVNIIMVLHYAWGP-UHFFFAOYSA-M	Nicotinate
sabiork.compound:1994 sabiorkM:1994 PVNIIMVLHYAWGP-UHFFFAOYSA-M	Nicotinate 3-Pyridinecarboxylate 3-Pyridinecarboxylic acid Niacin Nicotinic acid
kegg.compound:C00253 keggC:C00253 PVNIIMVLHYAWGP-UHFFFAOYSA-N	Nicotinate 3-Pyridinecarboxylic acid Niacin Nicotinic acid
vmhM:nac vmhmetabolite:nac PVNIIMVLHYAWGP-UHFFFAOYSA-M	Nicotinate pyridine-3-carboxylic acid
hmdb:HMDB0001488 PVNIIMVLHYAWGP-UHFFFAOYSA-N	Nicotinic acid 3 Pyridinecarboxylic acid 3-Carboxylpyridine 3-Carboxypyridine 3-Pyridinecarboxylate 3-Pyridinecarboxylic acid 3-Pyridylcarboxylate 3-Pyridylcarboxylic acid Acide nicotinique Acido nicotinico Acidum nicotinicum Akotin Aluminum salt, niacin Anti-pellagra vitamin Apelagrin Daskil Efacin Enduracin Hydrochloride, niacin Induracin Linic Lithium nicotinate Niac Niacin Niacin aluminum salt Niacin ammonium salt Niacin calcium salt Niacin cobalt (2+) salt Niacin copper (2+) salt Niacin hydrochloride Niacin iron (2+) salt Niacin lithium salt Niacin lithium salt, hemihydrate Niacin magnesium salt Niacin manganese (2+) salt Niacin potassium salt Niacin sodium salt Niacin tartrate Niacin tosylate Niacin zinc salt Niacine Niacor Niaspan Nicacid Nicamin Nicangin Nico 400 Nico-400 Nico-span Nico400 Nicobid Nicocap Nicodelmine Nicolar Niconacid Nicosan 3 Nicotinate Nicotinate, lithium Nicotinipca Nicyl Nikotinsaeure Nyclin P.P. factor PP Factor Pellagra preventive factor Pellagrin Pelonin Potassium salt, niacin Pyridine-b-carboxylate Pyridine-b-carboxylic acid Pyridine-beta-carboxylate Pyridine-beta-carboxylic acid Slo-niacin Sodium salt, niacin Tartrate, niacin Tosylate, niacin Vitamin b3 Wampocap b-Pyridinecarboxylate b-Pyridinecarboxylic acid beta-Pyridinecarboxylate beta-Pyridinecarboxylic acid beta-pyridinecarboxylate beta-pyridinecarboxylic acid m-Pyridinecarboxylate m-Pyridinecarboxylic acid niacin pyridine-3-carboxylic acid
envipath:...d4ed6b580217 envipathM:...d4ed6b580217 envipath:...d318ef0efef6 envipathM:...d318ef0efef6 PVNIIMVLHYAWGP-UHFFFAOYSA-M	compound 0042121
metacyc.compound:NIACINE metacycM:NIACINE PVNIIMVLHYAWGP-UHFFFAOYSA-M	nicotinate 3-pyridinecarboxylate 3-pyridinecarboxylic acid niacin niacine nicamin nico-400- nicobid nicocap nicolar nicotinic acid pyridine-3-carboxylate vitamin B3 wampocap
reactome:R-ALL-197230 reactomeM:R-ALL-197230 reactome:R-ALL-444714 reactomeM:R-ALL-444714 CHEBI:15940 chebi:15940 PVNIIMVLHYAWGP-UHFFFAOYSA-N	nicotinic acid 3-Pyridylcarboxylic acid 3-carboxylpyridine 3-carboxypyridine 3-pyridinecarboxylic acid NICOTINIC ACID Niacin Niacor Niaspan Nicotinic acid Nicotinsaure Nikotinsaeure P.P. factor PP factor acide nicotinique acido nicotinico acidum nicotinicum anti-pellagra vitamin beta-pyridinecarboxylic acid m-pyridinecarboxylic acid pellagra preventive factor pyridine-3-carboxylic acid pyridine-beta-carboxylic acid pyridine-carboxylique-3 vitamin B3
CHEBI:145116 chebi:145116 PVNIIMVLHYAWGP-UHFFFAOYSA-N	nicotinic-d4 acid
hmdb:HMDB01488 chebi:14650 chebi:22851 chebi:25530 chebi:25538 chebi:44319 chebi:7559 biggM:M_nac biggM:M_nicnt keggC:M_C00253 keggD:M_D00049 seedM:M_cpd00218 vmhM:M_nac	secondary/obsolete/fantasy identifier