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2D Structure
Also known as: 8059-24-3, Vitamin b 6, Vitamin b6,(s), Einecs 232-503-8, Akos015891944, Ft-0636608
Molecular Formula
C8H10NO5P-2
Molecular Weight
231.14  g/mol
InChI Key
RBCOYOYDYNXAFA-UHFFFAOYSA-L

VITAMIN B 6 refers to several PICOLINES (especially PYRIDOXINE; PYRIDOXAL; and PYRIDOXAMINE) that are efficiently converted by the body to PYRIDOXAL PHOSPHATE which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, and aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into PYRIDOXAMINE phosphate. Although pyridoxine and Vitamin B 6 are still frequently used as synonyms, especially by medical researchers, this practice is erroneous and sometimes misleading (EE Snell; Ann NY Acad Sci, vol 585 pg 1, 1990). Most of vitamin B6 is eventually degraded to PYRIDOXIC ACID and excreted in the urine.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate
2.1.2 InChI
InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)/p-2
2.1.3 InChI Key
RBCOYOYDYNXAFA-UHFFFAOYSA-L
2.1.4 Canonical SMILES
CC1=C(C(=NC=C1COP(=O)([O-])[O-])C)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Vitamin B 6

2. Vitamin B6

2.2.2 Depositor-Supplied Synonyms

1. 8059-24-3

2. Vitamin B 6

3. Vitamin B6,(s)

4. Einecs 232-503-8

5. Akos015891944

6. Ft-0636608

7. A19429

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 231.14 g/mol
Molecular Formula C8H10NO5P-2
XLogP3-0.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass231.02965942 g/mol
Monoisotopic Mass231.02965942 g/mol
Topological Polar Surface Area106 Ų
Heavy Atom Count15
Formal Charge-2
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Vitamin B Complex

A group of water-soluble vitamins, some of which are COENZYMES. (See all compounds classified as Vitamin B Complex.)