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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR03080001
Common NameDolichyl-19 phosphate
Systematic Namea-dihydrononadecaprenyl phosphate
Synonyms-
Exact Mass
1393.1819 (neutral)    Calculate m/z:
FormulaC95H157O4P
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassDolichol monophosphates [PR0308]
LIPIDBANK IDIIP0069
PubChem CID5283556
InChIKeyCARWNZMMHHJJQO-HMARKXMOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C95H157O4P/c1-77(2)39-21-40-78(3)41-22-42-79(4)43-23-44-80(5)45-24-46-81(6)47-25-48-82(7)49-26-50-83(8)51-27-52-84(9)53-28-54-85(10)55-29-56-86(11)57-30-58-87(12)59-31-60-88(13)61-32-62-89(14)63-33-64-90(15)65-34-66-91(16)67-35-68-92(17)69-36-70-93(18)71-37-72-94(19)73-38-74-95(20)75-76-99-100(96,97)98/h39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,95H,21-38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74-76H2,1-20H3,(H2,96,97,98)/b78-41+,79-43+,80-45-,81-47-,82-49-,83-51-,84-53-,85-55-,86-57-,87-59-,88-61-,89-63-,90-65-,91-67-,92-69-,93-71-,94-73-/t95-/m0/s1
Click to highlight InChI
SMILES
C(C/C=C(/CC/C=C(\C)/CC/C=C(\C)/C)\C)/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\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC[C@H](C)CCOP(=O)(O)O
Click to highlight SMILES
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms100Rings0Aromatic Rings0Rotatable Bonds58
 van der Waals
Molecular Volume
1659.53Topological Polar
Surface Area
66.76Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP32.84Molar
Refractivity
451.50