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Entry
CA01032                                                            

Classification
Carotenoid Name
(9Z)-Retinol;
9-cis-Retinol;
9-cis-Vitamin A alchol
IUPAC name (9Z)-15-Apo-beta-caroten-15-ol
Formula
C20H30O
Molecular Weight 
286.44 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
5
Number of
conjugated multiple bonds 
5
Isomers 
  • Cis/trans isomer: CA01031, CA01033
  • InChI
    InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+
    InChIKey
    FPIPGXGPPPQFEQ-MKOSUFFBSA-N
    Canonical SMILES
    OC/C=C(/C=C/C=C(\C=C\C1=C(C)CCCC1(C)C)/C)\C
    XLogP
    6.158
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.118
    Number of heavy atoms
    21
    TPSA
    (Topological Polar Surface Area) 
    20.230 Å2
    Source organisms

    References

    CAS
    22737-97-9
    Links to other DB

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