Structure Database (LMSD)

Common Name
Dolichol-16
Systematic Name
α-dihydrohexadecaprenol
Synonyms
LM ID
LMPR03070026
Formula
C80H132O
Exact Mass
Calculate m/z
1109.027815
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
COURORAOJFKVCU-YBGYVPJUSA-N
InChi (Click to copy)
InChI=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
SMILES (Click to copy)
C(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

Other Databases

CHEBI ID
166692
PubChem CID
25245314

Calculated Physicochemical Properties

Heavy Atoms 81
Rings 0
Aromatic Rings 0
Rotatable Bonds 47
Van der Waals Molecular Volume 1361.75
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 27.21
Molar Refractivity 371.90

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