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Entry
CA00788                                                            

Classification
Carotenoid Name
10'-Apolycopen-10'-ol
IUPAC name 10'-Apo-psi-caroten-10'-ol
Formula
C27H38O
Molecular Weight 
378.574 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
8
Number of
conjugated multiple bonds 
8
Isomers 
  • Constitutional isomer: CA00812
  • InChI
    InChI=1S/C27H38O/c1-23(2)13-9-16-26(5)18-11-20-27(6)19-10-17-24(3)14-7-8-15-25(4)21-12-22-28/h7-8,10-15,17-21,28H,9,16,22H2,1-6H3/b8-7+,17-10+,20-11+,21-12+,24-14+,25-15+,26-18+,27-19+
    InChIKey
    KGPLKUXNSHQNHF-XILPBBIVSA-N
    Canonical SMILES
    OC/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C
    XLogP
    8.558
    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
    28
    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
    113678-64-1
    Links to other DB

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