Structure Database (LMSD)

Common Name
Glycinoprenol-10
Systematic Name
(2Z,6Z,10Z,14Z,18Z,22Z,26E,31R,35R)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol
Synonyms
LM ID
LMPR03040009
Formula
C50H88O
Exact Mass
Calculate m/z
704.683515
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Polyprenols [PR03]
Phytoprenols [PR0304]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Glycine max (#3847)
Magnoliopsida (#3398)
Glycinoprenols: novel polyprenols possessing a phytyl residue from the leaves of soybean,
J Org Chem, 1989

String Representations

InChiKey (Click to copy)
VXLKCFIDVJZHGS-KACQORBASA-N
InChi (Click to copy)
InChI=1S/C50H88O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h27,29,31,33,35,37,39,41-43,51H,12-26,28,30,32,34,36,38,40H2,1-11H3/b44-27+,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-/t42-,43-/m1/s1
SMILES (Click to copy)
OC/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)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C

Other Databases

PubChem CID
14380586

Calculated Physicochemical Properties

Heavy Atoms 51
Rings
Aromatic Rings
Rotatable Bonds 31
Van der Waals Molecular Volume 863.87
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 17.01
Molar Refractivity 234.00

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Created at
17th Feb 2022
Updated at
17th Feb 2022