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Carotenoids DB          Carotenoids DB: CA01059   
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Entry
CA01059                                                            
Classification
Carotenoid Name
Abscisic alchol
IUPAC name (6S,9Z)-6-Hydroxy-3-oxo-11-apo-epsilon-caroten-11-ol
Formula
C15H22O3
Molecular Weight 
250.326 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
2 and 2 including one ketone (4 in total)
Number of
conjugated multiple bonds 
2 and 2 including one ketone (4 in total)
Isomers 
  • Constitutional isomer: CA00867
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    0.782
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    0
    Complexity of molecule
    0.150
    Number of heavy atoms
    18
    TPSA
    (Topological Polar Surface Area) 
    57.530 Å2
    Reaction
  • Substrate: CR00254
  • Product: CR00260
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Chenopodium album (Ref.167) - Land plant: white goosefoot, lamb's-quarters (Streptophyta - Amaranthaceae)
    References
  • Ref.167: Della Greca, Marina; Di Marino, Cinzia; Zarrelli, Armando; D'Abrosca, Brigida, Journal of Natural Products, Volume67, Issue9, Pages1492-1495, Journal, 2004, CODEN:JNPRDF ISSN:0163-3864 DOI:10.1021/np049857q, "Isolation and phytotoxicity of apocarotenoids from Chenopodium album".
    • CAS

    Links to other DB
    KEGG COMPOUND: C13456

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