Structure Database (LMSD)

OH
Common Name
Glycinoprenol-11
Systematic Name
(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,35R,39R,43)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
Synonyms
LM ID
LMPR03040010
Formula
C55H96O
Exact Mass
Calculate m/z
772.746115
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
UXICBYIGXYAKQO-QEWIRYEUSA-N
InChi (Click to copy)
InChI=1S/C55H96O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h29,31,33,35,37,39,41,43,45-47,56H,13-28,30,32,34,36,38,40,42,44H2,1-12H3/b48-29+,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-/t46-,47-/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)\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
14380588

Calculated Physicochemical Properties

Heavy Atoms 56
Rings
Aromatic Rings
Rotatable Bonds 34
Van der Waals Molecular Volume 947.73
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 18.73
Molar Refractivity 256.99

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