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
Status
Active
Exact Mass
Calculate m/z
704.683515
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)
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

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

Other Databases

PubChem CID

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