Structure Database (LMSD)

Common Name
Octaprenyl diphosphate, trans-Octaprenyl diphosphate
Systematic Name
Synonyms
LM ID
LMPR01070226
Status
Active
Exact Mass
Calculate m/z
722.444031
Formula
C40H68O7P2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
IKKLDISSULFFQO-DJMILUHSSA-N
InChi (Click to copy)
InChI=1S/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+
SMILES (Click to copy)
C/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/COP(O)(OP(O)(O)=O)=O

References

Other Databases

Wikipedia
OPP
KEGG ID
C04146
HMDB ID
HMDB0001094
CHEBI ID
16275
LIPIDBANK ID
IIP0016
PubChem CID
5280651

Calculated Physicochemical Properties

Heavy Atoms 49
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 780.63
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 14.06
Molar Refractivity 209.35

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Updated at
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