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Entry
CA01144                                                            

Classification
Carotenoid Name
Apo-8'-lycopenol
IUPAC name 8'-Apo-psi-caroten-8'-ol
Formula
C30H42O
Molecular Weight 
418.636 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
  • Constitutional isomer: CA01009, CA00012, CA01145, CA00826
  • InChI
    InChI=1S/C30H42O/c1-25(2)14-10-17-28(5)19-12-21-29(6)20-11-18-26(3)15-8-9-16-27(4)22-13-23-30(7)24-31/h8-9,11-16,18-23,31H,10,17,24H2,1-7H3/b9-8+,18-11+,21-12+,22-13+,26-15+,27-16+,28-19+,29-20+,30-23+
    InChIKey
    KFYFZUCZWABBBS-DCLDNXSWSA-N
    Canonical SMILES
    OC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C
    XLogP
    9.103
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    31
    TPSA
    (Topological Polar Surface Area) 
    20.230 Å2
    Source organisms
    Nostoc sp. PCC 7120 (Ref.560) - Cyanobacteria: same as Anabaena sp. PCC 7120
    References
  • Ref.560 : Scherzinger D, Ruch S, Kloer DP, Wilde A, Al-Babili S., Biochem J. 2006 Sep 15;398(3):361-9., PMID: 16759173 PMCID: PMC1559462 DOI: 10.1042/BJ20060592, "Retinal is formed from apo-carotenoids in Nostoc sp. PCC7120: in vitro characterization of an apo-carotenoid oxygenase.".
  • CAS

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