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Entry
CA00006                                                            

Classification
Carotenoid Name
4,4'-Diapo-ζ-carotene;
4,4'-Diapo-zeta-carotene
IUPAC name 7,8,7',8'-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: CA00005
  • 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/h9-10,13-18,21-24H,11-12,19-20H2,1-8H3/b10-9+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+
    InChIKey
    JJMKRPXUHIPSAW-ZOKJSSERSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C=C/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
    Streptococcus faecium UNH 564P (Ref.70) - Firmicutes - Bacilli
    Staphylococcus aureus (Ref.540) - Firmicutes - Bacilli
    Heliobacillus mobilis (Ref.188) - Firmicutes - Clostridia
    Heliophilum fasciatum (Ref.188) - Firmicutes - Clostridia
    Heliobacterium modesticaldum (Ref.188) - Firmicutes - Clostridia
    Heliobacterium gestii (Ref.188) - Firmicutes - Clostridia
    References
  • Ref.70 : Davies, Brian H.; Taylor, Richard F., Canadian Journal of Biochemistry (1982), 60(6), 684-92., "The biosynthesis of triterpenoid carotenoids in Streptococcus faecium UNH 564P".
  • Ref.540 : Benjamin N. Mijts, Pyung Cheon Lee, Claudia Schmidt-Dannert, Chemistry & Biology, Volume 12, Issue 4, April 2005, Pages 453–460, "Identification of a Carotenoid Oxygenase Synthesizing Acyclic Xanthophylls: Combinatorial Biosynthesis and Directed Evolution".
  • Ref.188 : Takaichi, S., K. Inoue, M. Akaike, M. Kobayashi, H. Ohoka, and M. T. Madigan. 1997. The major carotenoid in all known species of heliobacteria is the C30 carotenoid 4,4-diaponeurosporene, not neurosporene. Arch. Microbiol. 168:277–281..
  • CAS
    53872-51-8
    Links to other DB
    KEGG COMPOUND: C19841
    KNApSAcK: C00023136
    LipidBank: VCA1060
    ProCarDB: C1679

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