Structure database (LMSD)

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LM IDLMPR03070004
Common NameDolichol-20 (W)
Systematic Nameα-dihydroeicosaprenol
Synonyms-
Exact Mass
1381.2782 (neutral)    Calculate m/z:
FormulaC100H164O
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassDolichols [PR0307]
LIPIDBANK IDIIP0033
PubChem CID5283555
KEGG IDC00381
HMDB IDHMDB05176
CHEBI ID16091
InChIKeyKEVPZUBEAUSPNJ-YETSSXBSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C100H164O/c1-81(2)41-22-42-82(3)43-23-44-83(4)45-24-46-84(5)47-25-48-85(6)49-26-50-86(7)51-27-52-87(8)53-28-54-88(9)55-29-56-89(10)57-30-58-90(11)59-31-60-91(12)61-32-62-92(13)63-33-64-93(14)65-34-66-94(15)67-35-68-95(16)69-36-70-96(17)71-37-72-97(18)73-38-74-98(19)75-39-76-99(20)77-40-78-100(21)79-80-101/h41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,100-101H,22-40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78-80H2,1-21H3/b82-43+,83-45+,84-47-,85-49-,86-51-,87-53-,88-55-,89-57-,90-59-,91-61-,92-63-,93-65-,94-67-,95-69-,96-71-,97-73-,98-75-,99-77-/t100-/m0/s1
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SMILES
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=C(/CC/C=C(\C)/CC/C=C(\C)/C)\C)/C(/C)=C\CC[C@H](C)CCO
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms101Rings0Aromatic Rings0Rotatable Bonds59
 van der Waals
Molecular Volume
1697.19Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP34.11Molar
Refractivity
463.86