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Entry
CA00872                                                            

Classification
Carotenoid Name
α-Micropteroxanthin A;
alpha-Micropteroxanthin A
IUPAC name (3S,6S)-11',12'-Dihydro-10'-apo-epsilon,psi-caroten-3,10'-diol
Formula
C27H40O2
Molecular Weight 
396.59 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
6
Number of
conjugated multiple bonds 
6
Isomers 
  • Constitutional isomer: CA00817, CA00871
  • InChI
    InChI=1S/C27H40O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-9,11-14,16-17,19,25-26,28-29H,10,15,18,20H2,1-6H3/b8-7+,13-9+,17-16+,21-11+,22-12+,23-14+/t25-,26-/m1/s1
    InChIKey
    UKYBIQCVRBJWBE-XCGRFGPVSA-N
    Canonical SMILES
    OCCC/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]1C(=C[C@H](CC1(C)C)O)C)\C)\C)/C
    XLogP
    7.180
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.087
    Number of heavy atoms
    29
    TPSA
    (Topological Polar Surface Area) 
    40.460 Å2
    Source organisms
    Micropterus salmoides (Ref.226) - Bony fish: largemouth bass
    References
  • Ref.226 : Yamashita Eiji, Matsuno Takao, Nippon Suisan Gakkaishi¬†(1992),¬†58(12),¬†2277-82. "A series of new apocarotenoids from the black bass".
  • CAS
    148151-51-3
    Links to other DB
    KNApSAcK: C00023129

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