Structure Database (LMSD)

Common Name
Glycinoprenol-9
Systematic Name
(2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22-hexaen-1-ol
Synonyms
LM ID
LMPR03040008
Status
Active
Exact Mass
Calculate m/z
636.620915
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)
FWVIPKAFIXXKIW-WKKMVYAVSA-N
InChi (Click to copy)
InChI=1S/C45H80O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h25,27,29,31,33,35,37-39,46H,11-24,26,28,30,32,34,36H2,1-10H3/b40-25+,41-27-,42-29-,43-31-,44-33-,45-35-/t38-,39-/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)/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 46
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 780.01
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 15.28
Molar Refractivity 211.01

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Created at
-
Updated at
17th Feb 2022