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
Formula
C45H80O
Exact Mass
Calculate m/z
636.620915
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)
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

Other Databases

PubChem CID
14380584

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

Admin

Created at
-
Updated at
17th Feb 2022