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Entry
CA00193                                                            

Classification
Carotenoid Name
1',2'-Dihydro-γ-carotene;
1',2'-Dihydro-gamma-carotene
IUPAC name 1',2'-Dihydro-beta,psi-carotene
Formula
C40H58
Molecular Weight 
538.864 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
  • Constitutional isomer: CA00046, CA00047, CA00194, CA00299, CA00306, CA00317, CA00313
  • InChI
    InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,19-20,22-27,29-30,32H,13,17-18,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
    InChIKey
    QEGVGQAQPZTQFE-BXOLYSJBSA-N
    Canonical SMILES
    CC(CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C)/C)C
    XLogP
    15.517
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.061
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Source organisms
    Chlorobium tepidum (Ref.355) - Green sulfur bacteria
    References
  • Ref.355 : Takaichi, Shinichi; Wang, Zheng-Yu; Umetsu, Mitsuo; Nozawa, Tsunenori; Shimada, Keizo; Madigan, Michael T., Archives of Microbiology (1997), 168(4), 270-276., "New carotenoids from the thermophilic green sulfur bacterium Chlorobium tepidum: 1',2'-dihydro-γ-carotene, 1',2'-dihydrochlorobactene, and OH-chlorobactene glucoside ester, and the carotenoid composition of different strains".
  • CAS
    198413-30-8
    Links to other DB
    KNApSAcK: C00022806
    LipidBank: VCA1080
    ProCarDB: C1807

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