Structure database (LMSD)

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LM IDLMPR03070026
Common NameDolichol-16
Systematic Nameα-dihydrohexadecaprenol
Synonyms-
Exact Mass
1109.0278 (neutral)    Calculate m/z:
FormulaC80H132O
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassDolichols [PR0307]
PubChem CID25245314
InChIKeyCOURORAOJFKVCU-YBGYVPJUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C80H132O/c1-65(2)33-18-34-66(3)35-19-36-67(4)37-20-38-68(5)39-21-40-69(
6)41-22-42-70(7)43-23-44-71(8)45-24-46-72(9)47-25-48-73(10)49-26-50-74(11)51-27-
52-75(12)53-28-54-76(13)55-29-56-77(14)57-30-58-78(15)59-31-60-79(16)61-32-62-80
(17)63-64-81/h33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,80-81H,18-32,34,36,38
,40,42,44,46,48,50,52,54,56,58,60,62-64H2,1-17H3/b66-35+,67-37+,68-39-,69-41-,70
-43-,71-45-,72-47-,73-49-,74-51-,75-53-,76-55-,77-57-,78-59-,79-61-/t80-/m0/s1
SMILESC(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@H](C)CCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms81Rings0Aromatic Rings0Rotatable Bonds47
 van der Waals
Molecular Volume
1361.75Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP27.21Molar
Refractivity
371.90