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Carotenoids DB          Carotenoids DB: CA00877   
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Entry
CA00877                                                            
Classification
Carotenoid Name
8'-Hydroxyabscisic acid;
8'-Hydroxy ABA
IUPAC name (6S,9Z)-6,16-Dihydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid
Formula
C15H20O5
Molecular Weight 
280.31 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
3 and 2 including one ketone and one carboxylic acid (5 in total)
Number of
conjugated multiple bonds 
3 and 2 including one ketone and one carboxylic acid (5 in total)
Isomers 
  • Constitutional isomer: CA01060
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    0.175
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    5
    LipinskiFailures
    0
    Complexity of molecule
    0.150
    Number of heavy atoms
    20
    TPSA
    (Topological Polar Surface Area) 
    94.830 Å2
    Reaction
  • Substrate: CR00156
  • Product: CR00178,  CR00394
    • Pathway
  • Pathway: CB000081
    • Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    77209-34-8
    Links to other DB
    KEGG COMPOUND: C15514

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