Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00007   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00007                                                            

Classification
Carotenoid Name
4,4'-Diapophytofluene
IUPAC name 7,8,11,12,7',8'-Hexahydro-4,4'-diapo-psi,psi-carotene
Formula
C30H46
Molecular Weight 
406.668 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
5
Number of
conjugated multiple bonds 
5
Isomers 
InChI
InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13,15-18,21,23-24H,11-12,14,19-20,22H2,1-8H3/b10-9+,21-13+,27-17+,28-18+,29-23+,30-24+
InChIKey
XJMTWNXFNQAKGS-AXODYVGMSA-N
Canonical SMILES
C/C(=C\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/CC/C=C(/CCC=C(C)C)\C
XLogP
11.068
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
30
TPSA
(Topological Polar Surface Area) 
0.000 Å2
Source organisms
Streptococcus faecium UNH 564P (Ref.70) - Firmicutes - Bacilli
Heliobacillus mobilis (Ref.188) - Firmicutes - Clostridia
Heliophilum fasciatum (Ref.188) - Firmicutes - Clostridia
Heliobacterium gestii (Ref.188) - Firmicutes - Clostridia
Staphylococcus aureus (Ref.75) - Firmicutes - Bacilli
References
  • Ref.70 : Davies, Brian H.; Taylor, Richard F., Canadian Journal of Biochemistry (1982), 60(6), 684-92., "The biosynthesis of triterpenoid carotenoids in Streptococcus faecium UNH 564P".
  • Ref.188 : Takaichi, S., K. Inoue, M. Akaike, M. Kobayashi, H. Ohoka, and M. T. Madigan. 1997. The major carotenoid in all known species of heliobacteria is the C30 carotenoid 4,4-diaponeurosporene, not neurosporene. Arch. Microbiol. 168:277–281..
  • Ref.75 : Marshall, John H.; Wilmoth, Gregory H., Journal of Bacteriology (1981), 147(3), 900-13., "Pigments of Staphylococcus aureus, a series of triterpenoid carotenoids".
  • CAS
    53872-53-0
    Links to other DB
    KEGG COMPOUND: C19840
    KNApSAcK: C00023137
    LipidBank: VCA1059
    ProCarDB: C1676

       Search other references with Google Scholar