Structure Database (LMSD)
Common Name
Phytofluene
Systematic Name
Synonyms
3D model of Phytofluene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ZIUDAKDLOLDEGU-JPZSZRNLSA-N
InChi (Click to copy)
InChI=1S/C40H68/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-26,37-40H,13-14,17-18,23-24,27-32H2,1-10H3/b12-11-,25-15+,26-16+,35-21+,36-22+
SMILES (Click to copy)
C/C(=C\C=C/C=C(\C)/C=C/CC(C)CCCC(C)CC/C=C(/C)\C)/C=C/CC(C)CCCC(C)CC/C=C(/C)\C
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
VCA1002
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
0
Aromatic Rings
0
Rotatable Bonds
22
Van der Waals Molecular Volume
682.08
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
13.71
Molar Refractivity
185.86
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Created at
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Updated at
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