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Entry
CA00069                                                            

Classification
Carotenoid Name
Lycopersene
IUPAC name 7,8,11,12,15,7',8',11',12',15'-Decahydro-psi,psi-carotene
Formula
C40H66
Molecular Weight 
546.928 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
0
Number of
conjugated multiple bonds 
0
Isomers 
  • Constitutional isomer: CA00063
  • InChI
    InChI=1S/C40H66/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h19-22,27-30H,11-18,23-26,31-32H2,1-10H3/b35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
    InChIKey
    BGVXBZXEFXMRGJ-DPOFWPLISA-N
    Canonical SMILES
    C/C(=C\CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
    XLogP
    15.126
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Source organisms
    Corynebacterium sp. (Ref.436) - Actinobacteria
    References
  • Ref.436 : Y Yamada, C W Seo and H Okada, Appl. Environ. Microbiol. April 1985 vol. 49 no. 4 960-963, "Oxidation of acyclic terpenoids by Corynebacterium sp.".
  • CAS
    502-62-5
    Links to other DB

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