Record Information
Version1.0
Creation date2015-10-09 22:27:24 UTC
Update date2017-01-19 02:36:10 UTC
FoodComEx IDPC000020
FoodDB RecordFDB000574
Chemical Information
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 is a very strong basic compound (based on its pKa). Pyridoxine exists in all living species, ranging from bacteria to humans. Within humans, pyridoxine participates in a number of enzymatic reactions. 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 through its interaction with the enzyme pyridoxal kinase. In humans, pyridoxine is involved in vitamin B6 metabolism. Outside of the human body, Pyridoxine is found, on average, in the highest concentration within a few different foods, such as common sages, tarragons, and summer savories and in a lower concentration in hushpuppies, alaska pollocks, and clupeinae (herring, sardine, sprat). Pyridoxine has also been detected, but not quantified in, several different foods, such as ucuhuba, pikeperchs, whiskies, fruit gums, and ginsengs. This could make pyridoxine a potential biomarker for the consumption of these foods. Pyridoxine is a potentially toxic compound.
CAS Number65-23-6
Structure
Thumb
Synonyms
SynonymSource
2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridinebiospider
2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridineHMDB
2-methyl-3-hydroxy-4,5-dihydroxymethylpyridinebiospider
2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridinebiospider
2-methyl-4,5-dimethylol-pyridin-3-olbiospider
2-Picoline-4,5-dimethanol, 3-hydroxy-biospider
3-hydroxy-2-Picoline-4,5-dimethanolbiospider
3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridinedb_source
3-Hydroxy-4,5-dimethylol-a-picolineGenerator
3-Hydroxy-4,5-dimethylol-alpha-picolinebiospider
3-Hydroxy-4,5-dimethylol-α-picolineGenerator
3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-biospider
4,5-Bis(hydroxymethyl)-2-methyl-3-pyridinolbiospider
4,5-bis(hydroxymethyl)-2-methylpyridine-3-olbiospider
5-Hydroxy-6-methyl-3,4-pyridinedimethanolChEBI
5-Hydroxy-6-methyl-3,4-pyridinedimethanol, 9CIdb_source
Aderminebiospider
Aderoxinebiospider
Bezatinbiospider
Hexabetalinbiospider
Hexabionbiospider
Hydoxinbiospider
PiridossinaHMDB
PiridoxinaHMDB
Pirivitolbiospider
Pridoxinebiospider
Pyridoxinbiospider
PyridoxinumHMDB
Pyridoxoldb_source
PyridoxolumHMDB
Vitamin B6manual
Vitamin B6, 8CIdb_source
Chemical FormulaC8H11NO3
IUPAC name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
InChI IdentifierInChI=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
Isomeric SMILESCC1=C(O)C(CO)=C(CO)C=N1
Average Molecular Weight169.1778
Monoisotopic Molecular Weight169.073893223
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
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP-0.77SANGSTER (1993)
Experimental Water SolubilityNot Available
Melting PointMp 160°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 1 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci R438
AKSci W7658
Cayman Chemical 20706
MetaSci HMDB0000239
Sigma-Aldrich HMDB0000239
Toronto Research Chemicals P991733