Structure database (LMSD)

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LM IDLMPR03020006
Common Nameall-trans-Undecaprenyl phosphate
Systematic Name(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-
undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl
dihydrogen phosphate
SynonymsUndecaprenyl phosphate; undecaprenyl phosphate
Exact Mass
846.6655 (neutral)    Calculate m/z:
FormulaC55H91O4P
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol monophosphates [PR0302]
PubChem CID5280338
KEGG IDC00348
CHEBI ID16141
InChIKeyUFPHFKCTOZIAFY-RDQGWRCRSA-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+
SMILESC(/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/CC/C(/C)=C/COP(O)(O)=O)=C(\C)/C
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