Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR03030004
Common Nameundecaprenyl trihydrogen diphosphate
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
trihydrogen diphosphate
SynonymsDiphosphoric acid, mono(3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,
18,22,26,30,34,38,42-tetratetracontaundecaenyl) ester; UndPP; Undecaprenyl
diphosphate; Undecaprenyl pyrophosphate; undecaprenyl diphosphate
Exact Mass
926.6318 (neutral)    Calculate m/z:
FormulaC55H92O7P2
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassBactoprenol diphosphates [PR0303]
PubChem CID5280604
KEGG IDC03543
HMDB IDHMDB0001469
CHEBI ID17047
InChIKeyNTXGVHCCXVHYCL-RDQGWRCRSA-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+
SMILESP(=O)(O)(OP(=O)(O)O)OC/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)/CC/C=C(\C)/C
MS Spectra-     
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