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    Carotenoid

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    2D Structure
    Also known as: Carotenoid, Dtxsid601019103, Carotenoids (nos), Carotenes and carotenoids, Refchem:918091, Chebi:23044
    Molecular Formula
    C40H54O5
    Molecular Weight
    614.9  g/mol
    InChI Key
    FLFJZZNKVVNCFQ-YBZZSZPVSA-N
    The general name for a group of fat-soluble pigments found in green, yellow, and leafy vegetables, and yellow fruits. They are aliphatic hydrocarbons containing 4 terpene subunits.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1E,3E,5E,7E,9E,11E,13E,15Z)-1-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-16-(hydroxymethyl)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12-trimethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one
    2.1.2 InChI
    InChI=1S/C40H54O5/c1-28(16-12-18-30(3)36(44)23-37-39(7,8)25-34(43)26-40(37,9)45)14-10-11-15-29(2)17-13-19-32(27-41)20-21-35-31(4)22-33(42)24-38(35,5)6/h10-19,23,33-34,41-43,45H,22,24-27H2,1-9H3/b11-10+,16-12+,17-13+,28-14+,29-15+,30-18+,32-19-,37-23+/t33-,34+,40-/m1/s1
    2.1.3 InChI Key
    FLFJZZNKVVNCFQ-YBZZSZPVSA-N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Carotenoid

    2.2.2 Depositor-Supplied Synonyms

    1. Carotenoid

    2. Dtxsid601019103

    3. Carotenoids (nos)

    4. Carotenes And Carotenoids

    5. Refchem:918091

    6. Chebi:23044

    7. 36-88-4

    8. (1e,3e,5e,7e,9e,11e,13e,15z)-1-((2r,4s)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-16-(hydroxymethyl)-18-((4r)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12-trimethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one

    9. Chembl499737

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 614.9 g/mol
    Molecular Formula C40H54O5
    XLogP37.2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count11
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area98
    Heavy Atom Count45
    Formal Charge0
    Complexity1450
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count8
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antioxidants

    Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

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