4-Pyridoxic acid

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Systematic / IUPAC Name: 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid

ID: Reference1

Other Names: 4-Pyridoxinic acid;
4-Pyridoxylic acid;
4-Pyridoxinecarboxylic acid;
2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine;
4-Pyridoxate ; more

Formula: C8H9NO4

Class: Endogenous Metabolites

Spectral Data

4-Pyridoxic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 3
No. of Spectra 700
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/10/2016 9:23:57 AM
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Identificators

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)
InChI Key HXACOUQIXZGNBF-UHFFFAOYSA-N
Canonical SMILES CC1=NC=C(C(=C1O)C(=O)O)CO
CAS 82826
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Other Names 4-Pyridoxinic acid;
4-Pyridoxylic acid;
4-Pyridoxinecarboxylic acid;
2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine;
4-Pyridoxate;
4-Pyridoxinate;
4-Pyridoxylate;
3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid;
4-Pyridinecarboxylic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-;
3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid;
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinate;
3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylate

In Other Databases

KEGG C00847
ChemIDPlus 000082826; 000524072
ChEBI CHEBI:17405
HMDb HMDB00017
PubChem 6723
ChemSpider 6467