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Entry
CA01143                                                            

Classification
Carotenoid Name
Apo-8',15'-carotenedial;
2,6-dimethylocta-2,4,6-trienedial
IUPAC name 8',15'-Diapo-carotene-8',15'-dial
Formula
C10H12O2
Molecular Weight 
164.196 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
5 including two aldehydes (5 in total)
Number of
conjugated multiple bonds 
5 including two aldehydes (5 in total)
Isomers 
InChI
InChI=1S/C10H12O2/c1-9(6-7-11)4-3-5-10(2)8-12/h3-8H,1-2H3/b4-3+,9-6+,10-5+
InChIKey
PPJGVKZRXCHMCC-LNFQZQFXSA-N
Canonical SMILES
O=C/C=C(/C=C/C=C(/C=O)\C)\C
XLogP
1.285
Hydrogen Bond donors
(Lipinski's definition)
0
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
0
Complexity of molecule
0.000
Number of heavy atoms
12
TPSA
(Topological Polar Surface Area) 
34.140 Å2
Source organisms
Nostoc sp. PCC 7120 (Ref.560) - Cyanobacteria: same as Anabaena sp. PCC 7120
References
  • Ref.560 : Scherzinger D, Ruch S, Kloer DP, Wilde A, Al-Babili S., Biochem J. 2006 Sep 15;398(3):361-9., PMID: 16759173 PMCID: PMC1559462 DOI: 10.1042/BJ20060592, "Retinal is formed from apo-carotenoids in Nostoc sp. PCC7120: in vitro characterization of an apo-carotenoid oxygenase.".
  • CAS

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