Structure Database (LMSD)

OH
Common Name
Dolichol-17
Systematic Name
α-dihydroheptadecaprenol
Synonyms
LM ID
LMPR03070002
Formula
C85H140O
Exact Mass
Calculate m/z
1177.090415
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Polyprenols [PR03]
Dolichols [PR0307]

String Representations

InChiKey (Click to copy)
JHHNQEWLIKGELH-GIXGKHMPSA-N
InChi (Click to copy)
InChI=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
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(/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)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

CHEBI ID
166693
LIPIDBANK ID
IIP0041
PubChem CID
5283553

Calculated Physicochemical Properties

Heavy Atoms 86
Rings 0
Aromatic Rings 0
Rotatable Bonds 50
Van der Waals Molecular Volume 1445.61
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 28.93
Molar Refractivity 394.89

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Updated at
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