Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR03070003
Common NameDolichol-18
Systematic Nameα-dihydrooctadecaprenol
Synonyms-
Exact Mass
1245.1530 (neutral)    Calculate m/z:
FormulaC90H148O
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassDolichols [PR0307]
LIPIDBANK IDIIP0055
PubChem CID5283554
InChIKeyWKJSZJBJNUWXFX-MULAYZFRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C90H148O/c1-73(2)37-20-38-74(3)39-21-40-75(4)41-22-42-76(5)43-23-44-77(
6)45-24-46-78(7)47-25-48-79(8)49-26-50-80(9)51-27-52-81(10)53-28-54-82(11)55-29-
56-83(12)57-30-58-84(13)59-31-60-85(14)61-32-62-86(15)63-33-64-87(16)65-34-66-88
(17)67-35-68-89(18)69-36-70-90(19)71-72-91/h37,39,41,43,45,47,49,51,53,55,57,59,
61,63,65,67,69,90-91H,20-36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70-7
2H2,1-19H3/b74-39+,75-41+,76-43-,77-45-,78-47-,79-49-,80-51-,81-53-,82-55-,83-57
-,84-59-,85-61-,86-63-,87-65-,88-67-,89-69-/t90-/m0/s1
SMILESC(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(/CC/C=C(\
C)/CC/C=C(\C)/C)\C)/C(/C)=C\CC[C@H](C)CCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms91Rings0Aromatic Rings0Rotatable Bonds53
 van der Waals
Molecular Volume
1529.47Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP30.66Molar
Refractivity
417.88