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Showing metabocard for Pyridoxine (BMDB0000239)

IdentificationTaxonomyPhysical propertiesSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:27:13 UTC
Update Date2020-06-04 20:48:26 UTC
MCDB ID BMDB0000239
Secondary Accession Numbers
  • BMDB00239
Metabolite Identification
Common NamePyridoxine
DescriptionPyridoxine, also known as pyridoxol or vitamin B6, belongs to the class of organic compounds known as pyridoxines. These are pyridoxal derivatives in which the carbaldehyde group at position 2 of the pyridoxal moiety is replaced by a hydroxymethyl group. Pyridoxine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Pyridoxine exists in all living species, ranging from bacteria to humans. Pyridoxine participates in a number of enzymatic reactions, within cattle. In particular, Pyridoxine can be converted into pyridoxal; which is catalyzed by the enzyme pyridoxine-5'-phosphate oxidase. In addition, Pyridoxine can be converted into pyridoxine 5'-phosphate; which is catalyzed by the enzyme pyridoxal kinase. In cattle, pyridoxine is involved in the metabolic pathway called the vitamin B6 metabolism pathway. Pyridoxine is a potentially toxic compound.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridineChEBI
3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridineChEBI
3-Hydroxy-4,5-dimethylol-alpha-picolineChEBI
5-Hydroxy-6-methyl-3,4-pyridinedimethanolChEBI
PyridoxolChEBI
Vitamin b6ChEBI
3-Hydroxy-4,5-dimethylol-a-picolineGenerator
3-Hydroxy-4,5-dimethylol-α-picolineGenerator
2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridineHMDB
2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridineHMDB
2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridineHMDB
3-Hydroxy-2-picoline-4,5-dimethanolHMDB
AdermineHMDB
GravidoxHMDB
HydoxinHMDB
PiridossinaHMDB
PiridoxinaHMDB
PyridoxinHMDB
PyridoxinumHMDB
PyridoxolumHMDB
Pyridoxol hydrochlorideHMDB
RodexHMDB
Pyridoxine hydrochlorideHMDB
Chemical FormulaC8H11NO3
Average Molecular Weight169.1778
Monoisotopic Molecular Weight169.073893223
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number65-23-6
SMILESNot Available
InChI Identifier
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
InChI KeyLXNHXLLTXMVWPM-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as pyridoxines. These are pyridoxal derivatives in which the carbaldehyde group at position 2 of the pyridoxal moiety is replaced by a hydroxymethyl group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassPyridoxines
Direct ParentPyridoxines
Alternative Parents
Substituents
  • Pyridoxine
  • Methylpyridine
  • Hydroxypyridine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Aromatic alcohol
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point159 - 162 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility79 mg/mLNot Available
LogP-0.77SANGSTER (1993)
Predicted PropertiesNot Available
Spectra
Spectrum TypeDescriptionSplash KeyView
Concentrations
StatusValueReferenceDetails
Detected and Quantified41 uM details
Detected and Quantified2.364 uM details
Detected and Quantified2.364 uM details
Detected and Quantified2.187 uM details
Detected and Quantified2.364 uM details
Detected and Quantified2.01 uM details
Detected and Quantified2.955 uM details
Detected and Quantified2.66 uM details
Detected and Quantified2.187 uM details
Detected and Quantified2.955 uM details
Detected and Quantified2.719 uM details
Detected and Quantified2.187 uM details
Detected and Quantified2.187 uM details
Detected and Quantified2.896 uM details
Detected and Quantified2.955 uM details
Detected and Quantified2.483 uM details
Detected and Quantified3.015 uM details
Detected and Quantified2.66 uM details
Detected and Quantified2.719 uM details
Detected and Quantified2.246 uM details
Detected and Quantified2.246 uM details
Detected and Quantified2.955 uM details
Detected and Quantified2.896 uM details
Detected and Quantified2.955 uM details
Detected and Quantified2.128 uM details
Detected and Quantified2.128 uM details
Detected and Quantified2.778 uM details
Detected and Quantified2.719 uM details
Detected and Quantified2.955 uM details
Detected and Quantified2.483 uM
  • Park, Y. W; Juáre...
 details
Detected and Quantified1.8 +/- 0.1 uM details
Detected and Quantified1.8 +/- 0.1 uM details
Detected and Quantified1.8 +/- 0.1 uM details
Detected and Quantified2.0 +/- 0.1 uM details
HMDB IDHMDB0000239
DrugBank IDDB00165
Phenol Explorer Compound IDNot Available
FoodDB IDFDB000574
KNApSAcK IDC00001551
Chemspider ID1025
KEGG Compound IDC00314
BioCyc IDPYRIDOXINE
BiGG IDNot Available
Wikipedia LinkPyridoxine
METLIN IDNot Available
PubChem Compound1054
PDB IDNot Available
ChEBI ID16709
References
Synthesis ReferenceItov, Z. I.; Stepanova, S. V.; El'yanov, B. S.; Gunar, V. I. Synthesis of pyridoxine under high pressure. Khimiko-Farmatsevticheskii Zhurnal (1987), 21(7), 858-62.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Agostini TS, Scherer R, Godoy HT: Simultaneous determination of B-group vitamins in enriched Brazilian dairy products. Crit Rev Food Sci Nutr. 2007;47(5):435-9. doi: 10.1080/10408390600846309. [PubMed:17558655 ]
  2. Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W. (2007). Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013. Small Ruminant Research.
  3. A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
  4. USDA Food Composition Databases [Link]
  5. Fooddata+, The Technical University of Denmark (DTU) [Link]