Structure database (LMSD)

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LM IDLMPR03070001
Common NameDolichol-19
Systematic Nameα-dihydrononadecaprenol
SynonymsDol-19
Exact Mass
1313.2156 (neutral)    Calculate m/z:
FormulaC95H156O
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassDolichols [PR0307]
LIPIDBANK IDIIP0031
PubChem CID5283552
InChIKeyOTRSDHXDHPEZNS-HMARKXMOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C95H156O/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)75-76-96/h39,41,43,45,47,49,51,
53,55,57,59,61,63,65,67,69,71,73,95-96H,21-38,40,42,44,46,48,50,52,54,56,58,60,6
2,64,66,68,70,72,74-76H2,1-20H3/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
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(/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 Atoms96Rings0Aromatic Rings0Rotatable Bonds56
 van der Waals
Molecular Volume
1613.33Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP32.39Molar
Refractivity
440.87