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5-pyridoxate

Properties

Image

Occurences in reactions

MNX_ID

MNXM3190

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₈H₈NO₄

charge

-1

mass

182.04588

reference

InChIKey

VJZTVPVXKYQRJZ-UHFFFAOYSA-M

InChI

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

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:30960 chebi:30960	5-pyridoxate 3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate 5-Pyridoxate 5-hydroxy-4-(hydroxymethyl)-6-methylnicotinate 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
kegg.compound:C04773 keggC:C04773	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate 5-Pyridoxate 5-Pyridoxic acid
envipath:...f3693c36e0c7 envipathM:...f3693c36e0c7	5-Pyridoxate
seed.compound:cpd02901 seedM:cpd02901	5-Pyridoxate 3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate 3-hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate 5-Pyridoxic acid 5-pyridoxate
metacyc.compound:3-HYDROXY-ETCETERA-CARBOXYLATE metacycM:3-HYDROXY-ETCETERA-CARBOXYLATE	5-pyridoxate 3-hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
CHEBI:16409 chebi:16409	5-pyridoxic acid 5-Pyridoxic acid 5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylic acid 5-hydroxy-4-(hydroxymethyl)-6-methylnicotinic acid 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
chebi:11815 chebi:1525 chebi:20044 chebi:20045 keggC:M_C04773 seedM:M_cpd02901	secondary/obsolete/fantasy identifier