Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA00015   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible biosynthetic routes of this carotenoid   ]
Entry
CA00015                                                            
Classification
Carotenoid Name
4,4'-Diaponeurosporen-4-oic acid
IUPAC name 7',8'-Dihydro-4,4'-diapo-psi,psi-caroten-4-oic acid
Formula
C30H40O2
Molecular Weight 
432.62 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10
Number of
conjugated multiple bonds 
10
Isomers 
  • Constitutional isomer: CA01126, CA00880, CA00853, CA00832
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.529
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    32
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
  • Substrate: CR00307
  • Product: CR00221,  CR00223
    • Pathway
  • Pathway: CB000003
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Staphylococcus aureus (Ref.75, Ref.540) - Firmicutes - Bacilli (Firmicutes - Staphylococcaceae)
    Nostoc sp. PCC 7120 (Ref.72) - Cyanobacteria: same as Anabaena sp. PCC 7120 (Cyanobacteria - Nostocaceae)
    References
  • Ref.72: Heo, Jinsol; Kim, Se Hyeuk; Lee, Pyung Cheon, Applied and Environmental Microbiology (2013), 79(11), 3336-3345., "New insight into the cleavage reaction of Nostoc sp. strain PCC 7120 carotenoid cleavage dioxygenase in natural and nonnatural carotenoids".
  • 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.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
    79679-53-1
    Links to other DB
    KEGG COMPOUND: C16146
    KNApSAcK: C00023144
    LipidBank: VCA1193
    ProCarDB: C1647

       Searching other references with Google Scholar or searching the colour of this carotenoid by Google image search