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Carotenoids DB          Carotenoids DB: CA00001   
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Entry
CA00001                                                            
Classification
Carotenoid Name
4,4'-Diapolycopene
IUPAC name 4,4'-Diapo-psi,psi-carotene
Formula
C30H40
Molecular Weight 
400.62 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
10.942
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
0
LipinskiFailures
1
Complexity of molecule
0.000
Number of heavy atoms
30
TPSA
(Topological Polar Surface Area) 
0.000 Å2
Reaction
  • Substrate: CR00005,  CR00007
  • Product: CR00013,  CR00137
    • Pathway
  • Pathway: CB000001,  CB000102
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Staphylococcus aureus (Ref.540) - Firmicutes - Bacilli (Firmicutes - Staphylococcaceae)
    Heliobacillus mobilis (Ref.188) - Firmicutes - Clostridia (Firmicutes - Heliobacteriaceae)
    Heliophilum fasciatum (Ref.188) - Firmicutes - Clostridia (Firmicutes - Heliobacteriaceae)
    Heliobacterium modesticaldum (Ref.188) - Firmicutes - Clostridia (Firmicutes - Heliobacteriaceae)
    Heliobacterium gestii (Ref.188) - Firmicutes - Clostridia (Firmicutes - Heliobacteriaceae)
    References
  • 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..
  • 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".
    • CAS
    83559-00-6
    Links to other DB
    KEGG COMPOUND: C19797
    LipidBank: VCA1061
    ProCarDB: C1839

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