Structure database (LMSD)

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LM IDLMPR03030008
Common Namedi-trans,poly-cis-undecaprenyl diphosphate (W)
Systematic Name(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,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
trihydrogen diphosphate
Synonymsdi-trans,poly-cis-Undecaprenyl diphosphate; di-trans,poly-cis-undecaprenyl
diphosphate; ditrans,polycis-undecaprenyl diphosphate
Exact Mass
926.6318 (neutral)    Calculate m/z:
FormulaC55H92O7P2
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol diphosphates [PR0303]
PubChem CID5280700
KEGG IDC04574
CHEBI ID18197
InChIKeyNTXGVHCCXVHYCL-NTDVEAECSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-4
9(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)41-2
2-42-55(12)43-44-61-64(59,60)62-63(56,57)58/h23,25,27,29,31,33,35,37,39,41,43H,1
3-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3,(H,59,60)(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/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(/C)=C\CC/C(=C\CC/C(
=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms64Rings0Aromatic Rings0Rotatable Bonds35
 van der Waals
Molecular Volume
1032.21Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP19.24Molar
Refractivity
278.33