Structure Database (LMSD)

Common Name
Phytofluene
Systematic Name
Synonyms
LM ID
LMPR01070084
Formula
C40H68
Exact Mass
Calculate m/z
548.5321
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

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
Phytofluene
KEGG ID
C05414
HMDB ID
HMDB02871
CHEBI ID
35165
LIPIDBANK ID
VCA1002
PubChem CID
16061225

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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