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Entry
CA00298                                                            

Classification
Carotenoid Name
δ-Carotene;
delta-Carotene
IUPAC name (6R)-epsilon,psi-Carotene
Formula
C40H56
Molecular Weight 
536.848 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Yellow food coloring (Ref.468).
  • Number of
    conjugated double bonds 
    10
    Number of
    conjugated multiple bonds 
    10
    Isomers 
    InChI
    InChI=1S/C40H56/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/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1
    InChIKey
    WGIYGODPCLMGQH-GOXCNPTKSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@H]1C(=CCCC1(C)C)C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C
    XLogP
    15.113
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    0
    LipinskiFailures
    2
    Complexity of molecule
    0.062
    Number of heavy atoms
    40
    TPSA
    (Topological Polar Surface Area) 
    0.000 Å2
    Source organisms
    Lycopersicon esculentum Mill. x Lycopersicon hirsutum Humb. x Bonpl. (Ref.293, Ref.294) - Land plant: Solanaceae: tomato
    References
  • Ref.293 : PORTERJ,. W., and F. P. ZSCHEILE1,946, "Carotenes of Lycopersicon species and strains.", Arch. Biochem. Biophys. 10: 537-545..
  • Ref.294 : PORTERJ.,W., and R. E. LINCOLN1,950 I. Lycopersicon selections containing a high content of carotenes and colorless polyenes. 11. The mechanism of carotene biosynthesis. Arch. Biochem. Biophys. 27: 390403..
  • Ref.468 : Gerard P. Moss, Herbert Baxter, J.B. Harborne, Gerald P. Moss, CRC Press; 1 edition (February 15, 1993), ISBN-10: 0850667364, ISBN-13: 978-0850667363, "Phytochemical Dictionary: A Handbook of Bioactive Compounds from Plants".
  • CAS
    472-92-4
    Links to other DB
    KEGG COMPOUND: C08586
    KNApSAcK: C00003766
    LipidBank: VCA1043
    ProCarDB: C0892

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