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4-pyridoxate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1530

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	5

formula

C₈H₈NO₄

charge

-1

mass

182.04588

reference

chebi:30959

InChIKey

HXACOUQIXZGNBF-UHFFFAOYSA-M

InChI

InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)/p-1

SMILES

Cc1ncc(CO)c(C(=O)[O-])c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:30959 chebi:30959	4-pyridoxate 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylate 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinate 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate 4-pyridoxinate 4-pyridoxylate
bigg.metabolite:4pyrdx biggM:4pyrdx envipath:...23366537561a envipathM:...23366537561a	4-Pyridoxate
seed.compound:cpd00631 seedM:cpd00631	4-Pyridoxate 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate 4-Pyridoxic acid 4-pyridoxate 4-pyridoxic acid
sabiork.compound:5273 sabiorkM:5273 kegg.compound:C00847 keggC:C00847	4-Pyridoxate 4-Pyridoxic acid
hmdb:HMDB0000017	4-Pyridoxic acid 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylate 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid 3-Hydroxy-5-(hydroxymethyl)-2-methyl-isonicotinate 3-Hydroxy-5-(hydroxymethyl)-2-methyl-isonicotinic acid 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinate 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid 3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinate 3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinic acid 3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinsaeure 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid 4 Pyridoxic acid 4 Pyridoxinic acid 4 Pyridoxylic acid 4-Pyridoxate 4-Pyridoxinate 4-Pyridoxinecarboxylate 4-Pyridoxinecarboxylic acid 4-Pyridoxinic acid 4-Pyridoxinsaeure 4-Pyridoxylate 4-Pyridoxylic acid Pyridoxate Pyridoxic acid Pyridoxinecarboxylic acid pyridoxic acid
metacyc.compound:CPD-1112 metacycM:CPD-1112	4-pyridoxate 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate 4-pyridoxic acid
reactome:R-ALL-3204324 reactomeM:R-ALL-3204324 CHEBI:17405 chebi:17405	4-pyridoxic acid 2-methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid 4-Pyridoxic acid 4-Pyridoxinsaeure 4-pyridoxinecarboxylic acid 4-pyridoxinic acid 4-pyridoxylic acid pyridoxic acid
hmdb:HMDB00017 chebi:12043 chebi:1928 chebi:20473 chebi:20474 biggM:M_4pyrdx keggC:M_C00847 seedM:M_cpd00631	secondary/obsolete/fantasy identifier