Structure Database (LMSD)

Common Name
undecaprenyl 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
Synonyms
  • Diphosphoric 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
LM ID
LMPR03030004
Formula
C55H92O7P2
Exact Mass
Calculate m/z
926.631831
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Polyprenols [PR03]
Bactoprenol diphosphates [PR0303]

String Representations

InChiKey (Click to copy)
NTXGVHCCXVHYCL-RDQGWRCRSA-N
InChi (Click to copy)
InChI=1S/C55H92O7P2/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)43-44-61-64(59,60)62-63(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,(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+
SMILES (Click to copy)
P(=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

Other Databases

KEGG ID
C03543
HMDB ID
HMDB0001469
CHEBI ID
17047
PubChem CID
5280604

Calculated Physicochemical Properties

Heavy Atoms 64
Rings 0
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 1032.21
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 19.24
Molar Refractivity 278.33

Admin

Created at
-
Updated at
-