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Entry
CA00188                                                            

Classification
Carotenoid Name
4'-Apo-3,4-didehydrolycopene;
4-Apo-3',4'-didehydrolycopene
IUPAC name 3,4-Didehydro-4'-apo-psi,psi-carotene
Formula
C35H46
Molecular Weight 
466.718 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13
Number of
conjugated multiple bonds 
13
Isomers 
InChI
InChI=1S/C35H46/c1-29(2)17-12-21-33(7)25-14-23-31(5)19-10-11-20-32(6)24-15-27-35(9)28-16-26-34(8)22-13-18-30(3)4/h10-28H,1-9H3/b11-10+,21-12+,22-13+,23-14+,24-15+,28-16+,31-19+,32-20+,33-25+,34-26+,35-27+
InChIKey
RMTXRSKFJQIXGO-JIYPWYQOSA-N
Canonical SMILES
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(C)C)/C)/C)/C=C/C=C(/C=C/C=C(/C=C/C=C(C)C)\C)\C
XLogP
12.722
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
35
TPSA
(Topological Polar Surface Area) 
0.000 Å2
Source organisms

References

CAS
628726-51-2
Links to other DB
LipidBank: VCA1107

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