Structure database (LMSD)

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LM IDLMPR03020001
Common Nameundecaprenyl phosphate (W)
Systematic Name3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2Z,6Z,10Z,14Z,18Z,
22Z,26Z,30Z,34E,38E,42-undecaen-1-yl phosphate
Synonyms-
Exact Mass
846.6655 (neutral)    Calculate m/z:
FormulaC55H91O4P
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol monophosphates [PR0302]
PubChem Compound ID (CID)5283548
InChIKeyUFPHFKCTOZIAFY-NTDVEAECSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49
(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22
-42-55(12)43-44-59-60(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,13-22,24,26,28
,30,32,34,36,38,40,42,44H2,1-12H3,(H2,56,57,58)/b46-25+,47-27+,48-29-,49-31-,50-
33-,51-35-,52-37-,53-39-,54-41-,55-43-
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\CC/C(/C)=C\COP(O)(O)=O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms60Rings0Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
986.01Topological Polar
Surface Area
66.76Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP18.95Molar
Refractivity
267.55    
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