Structure Database (LMSD)

Common Name
Dolichol-18
Systematic Name
α-dihydrooctadecaprenol
Synonyms
LM ID
LMPR03070003
Status
Active
Exact Mass
Calculate m/z
1245.153015
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WKJSZJBJNUWXFX-MULAYZFRSA-N
InChi (Click to copy)
InChI=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,20-36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70-72H2,1-19H3/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
SMILES (Click to copy)
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(/CC/C=C(\C)/CC/C=C(\C)/C)\C)/C(/C)=C\CC[C@H](C)CCO

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Subcellular organelle lipidomics in TLR-4-activated macrophages.,
J Lipid Res, 2010
Pubmed ID: 20574076
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

CHEBI ID
LIPIDBANK ID
IIP0055
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 91
Rings 0
Aromatic Rings 0
Rotatable Bonds 53
Van der Waals Molecular Volume 1529.47
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 30.66
Molar Refractivity 417.88

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Created at
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Updated at
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