Structure database (LMSD)

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LM IDLMPR03020007
Common Nameall-trans decaprenyl phosphate
Systematic Name3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2E,6E,10E,14E,18E,22E,26E,30E,
34E,38-decaen-1-yl phosphate
SynonymsDecaprenol phosphate
Exact Mass
778.6029 (neutral)    Calculate m/z:
FormulaC50H83O4P
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol monophosphates [PR0302]
PubChem Compound ID (CID)5280557
KEGG IDC02970
CHEBI ID16477
InChIKeyXBEJBEIXLWRYBT-CMVHWAPMSA-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+
SMILESCC(C)=CCC/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
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    
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