Structure database (LMSD)

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LM IDLMPR03070002
Common NameDolichol-17
Systematic Nameα-dihydroheptadecaprenol
Synonyms-
Exact Mass
1177.0904 (neutral)    Calculate m/z:
FormulaC85H140O
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassDolichols [PR0307]
LIPIDBANK IDIIP0041
PubChem CID5283553
InChIKeyJHHNQEWLIKGELH-GIXGKHMPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C85H140O/c1-69(2)35-19-36-70(3)37-20-38-71(4)39-21-40-72(5)41-22-42-73(
6)43-23-44-74(7)45-24-46-75(8)47-25-48-76(9)49-26-50-77(10)51-27-52-78(11)53-28-
54-79(12)55-29-56-80(13)57-30-58-81(14)59-31-60-82(15)61-32-62-83(16)63-33-64-84
(17)65-34-66-85(18)67-68-86/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,85-
86H,19-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66-68H2,1-18H3/b70-37+,71
-39+,72-41-,73-43-,74-45-,75-47-,76-49-,77-51-,78-53-,79-55-,80-57-,81-59-,82-61
-,83-63-,84-65-/t85-/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(/CC/C=C(\C)/CC/C=C(\
C)/C)\C)/C(/C)=C\CC[C@H](C)CCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms86Rings0Aromatic Rings0Rotatable Bonds50
 van der Waals
Molecular Volume
1445.61Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP28.93Molar
Refractivity
394.89