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Entry
CA00005                                                            

Classification
Carotenoid Name
4,4'-Diapo-7,8,11,12-tetrahydrolycopene
IUPAC name 7,8,11,12-Tetrahydro-4,4'-diapo-psi,psi-carotene
Formula
C30H44
Molecular Weight 
404.652 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7
Number of
conjugated multiple bonds 
7
Isomers 
  • Constitutional isomer: CA00006
  • InChI
    InChI=1S/C30H44/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-11,13,15-19,21,23-24H,12,14,20,22H2,1-8H3/b10-9+,19-11+,21-13+,27-17+,28-18+,29-23+,30-24+
    InChIKey
    QSLXXAZXUYYJCO-IMFKHJNASA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(C)C)/C)/C)/CC/C=C(/CCC=C(C)C)\C
    XLogP
    11.026
    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
    30
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Source organisms
    Staphylococcus aureus (Ref.75) - Firmicutes - Bacilli
    Streptococcus faecium UNH 564P (Ref.71) - Firmicutes - Bacilli
    References
  • Ref.75 : Marshall, John H.; Wilmoth, Gregory H., Journal of Bacteriology (1981), 147(3), 900-13., "Pigments of Staphylococcus aureus, a series of triterpenoid carotenoids".
  • Ref.71 : Taylor, Richard F.; Davies, Brian H., Biochemical Journal (1976), 153(2), 233-9., "Triterpenoid carotenoids and related lipids. Triterpenoid carotenoid aldehydes from Streptococcus faecium UNH 564P".
  • CAS
    53872-52-9
    Links to other DB
    KNApSAcK: C00023135
    LipidBank: VCA1199
    ProCarDB: C1677

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