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Carotenoids DB          Carotenoids DB: CA00061   
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Entry
CA00061                                                            
Classification
Carotenoid Name
(all-E)-Phytoene;
all-trans-Phytoene
IUPAC name 7,8,11,12,7',8',11',12'-Octahydro-psi,psi-carotene
Formula
C40H64
Molecular Weight 
544.912 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Colorless carotenoid (Ref.585).
    • Number of
    conjugated double bonds 
    3
    Number of
    conjugated multiple bonds 
    3
    Isomers 
  • Cis/trans isomer: CA00060
  • Constitutional isomer: CA00067
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    14.754
    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
    Reaction
  • Substrate: CR00449,  CR00097,  CR00135
  • Product: CR00117,  CR00276,  CR00401
    • Pathway
  • Pathway: CB000006
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Passiflora edulis (Ref.693) - Land plant: yellow passion fruit (Streptophyta - Passifloraceae)
    Coccinella septempunctata (Ref.116) - Insect: seven-spotted ladybird (Arthropoda (Insecta) - Coccinellidae)
    References
  • Ref.116: Britton, George; Lockley, William J. S.; Harriman, Garry A.; Goodwin, Trevor W., Nature (London, United Kingdom) (1977), 266(5597), 49-50., "Pigmentation of the ladybird beetle Coccinella septempunctata by carotenoids not of plant origin".
  • Ref.693: M. Yano et al., Food Science and Technology Research, 11(1), pp.13-18, 2005, "Quantitation of Carotenoids in Raw and Processed Fruits in Japan", DOI: https://doi.org/10.3136/fstr.11.13.
  • Ref.585: Pyung Cheon Lee, Abu Zafar Ruhul Momen, Benjamin N. Mijts, and Claudia Schmidt-Dannert, Chemistry & Biology, Vol. 10, 453–462, May, 2003, 2003 Elsevier Science Ltd. All rights reserved. DOI 10.1016/S1074-5521(03)00103-0, "Biosynthesis of Structurally Novel Carotenoids in Escherichia coli".
    • CAS
    540-04-5
    Links to other DB
    MassBank: CA000094

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