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    (5-Hydroxy-4,6-Dimethylpyridin-3-Yl)Methyl Phosphate

    PharmaCompass
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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.)