Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA01191   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA01191                                                            

Classification
Carotenoid Name
(6'R)-α-Carotene;
(6'R)-alpha-Carotene
IUPAC name (6'S)-beta,epsilon-Carotene
Formula
C40H56
Molecular Weight 
536.848 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10
Number of
conjugated multiple bonds 
10
Isomers 
  • Constitutional isomer: CA00043, CA00045, CA00191, CA00298, CA00305, CA00309, CA00677, CA00680, CA00681, CA00720
  • Enantiomer: CA00587
  • InChI
    InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m1/s1
    InChIKey
    ANVAOWXLWRTKGA-QTRZAOAUSA-N
    Canonical SMILES
    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(/C=C/[C@@H]1C(=CCCC1(C)C)C)\C
    XLogP
    15.187
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    1
    Complexity of molecule
    0.312
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Source organisms
    Acaryochloris marina strain MBIC 11017 (Ref.274) - Cyanobacteria: symbiotic species Unicellular Cyanobacterium, an epiphyte on red alga
    Acaryochloris sp. strain Awaji (Ref.274) - Cyanobacteria: an epiphyte on red alga
    References
  • Ref.274 : Shinichi Takaichi, Mari Mochimaru, Hiroko Uchida, Akio Murakami, Euichi Hirose, Takashi Maoka, Tohru Tsuchiya, and Mamoru Mimuro, Plant Cell Physiol. 53(11): 1881–1888 (2012) doi:10.1093/pcp/pcs126, "Opposite Chilarity of a-Carotene in Unusual Cyanobacteria with Unique Chlorophylls, Acaryochloris and Prochlorococcus".
  • CAS

    Links to other DB

       Search other references with Google Scholar