Structure Database (LMSD)

OH
Common Name
Dolichol-20
Systematic Name
α-dihydroeicosaprenol
Synonyms
LM ID
LMPR03070004
Formula
Exact Mass
Calculate m/z
1381.278215
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
KEVPZUBEAUSPNJ-YETSSXBSSA-N
InChi (Click to copy)
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
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(/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
Sus scrofa (#9823)
Mammalia (#40674)
DOLICHOL: A NATURALLY-OCCURRING C100 ISOPRENOID ALCOHOL.,
Biochem J, 1963
Pubmed ID: 14071520
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
IIP0033
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 101
Rings 0
Aromatic Rings 0
Rotatable Bonds 59
Van der Waals Molecular Volume 1697.19
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 34.11
Molar Refractivity 463.86

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Created at
-
Updated at
10th Feb 2021