Structure database (LMSD)

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LM IDLMPR01070226
Common NameOctaprenyl diphosphate, trans-Octaprenyl diphosphate (W)
Systematic Name-
Synonyms-
Exact Mass
722.4440 (neutral)    Calculate m/z:
FormulaC40H68O7P2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC40 isoprenoids (tetraterpenes) [PR0107]
LIPIDBANK IDIIP0016
PubChem CID5280651
KEGG IDC04146
HMDB IDHMDB0001094
CHEBI ID16275
InChIKeyIKKLDISSULFFQO-DJMILUHSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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+
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SMILES
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
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms49Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
780.63Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP14.06Molar
Refractivity
209.35