Structure database (LMSD)

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LM IDLMPR03020008
Common NameDecaprenyl phosphate
Systematic Name3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,
34E,38-decaen-1-yl phosphate
Synonymsω,E, octa-Z-decaprenyl phosphate
Exact Mass
778.6029 (neutral)    Calculate m/z:
FormulaC50H83O4P
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol monophosphates [PR0302]
PubChem CID45479680
InChIKeyXBEJBEIXLWRYBT-DJNGBRKISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45
(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40
-54-55(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38
,40H2,1-11H3,(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-
37-,50-39-
SMILESC/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\CC/C(/C)=C\CC/C(/C)=C\COP(O)(=O)O
StatusActive
ReferencesDecaprenyl Diphosphate Synthesis in Mycobacterium tuberculosis
D. Kaur, P.J. Brennan, and D.C. Crick
J Bacteriol. 2004 November; 186(22): 7564-7570.
Calculated physicochemical properties (?):
 Heavy Atoms55Rings0Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
902.15Topological Polar
Surface Area
66.76Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP17.23Molar
Refractivity
244.56