Structure Database (LMSD)

O O O OH O O O HO
Common Name
18-acetoxy-PGF2alpha-11-acetate methyl ester
Systematic Name
methyl 9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoate
Synonyms
  • 18-acetoxy-Prostaglandin F2alpha-11-acetate methyl ester
LM ID
LMFA03010099
Formula
C25H40O8
Exact Mass
Calculate m/z
468.27232
Sum Composition
FA 25:5;O6
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

String Representations

InChiKey (Click to copy)
DILYBEDJTMAIIY-IJALTSKHSA-N
InChi (Click to copy)
InChI=1S/C25H40O8/c1-5-20(32-17(2)26)14-12-19(28)13-15-22-21(23(29)16-24(22)33-18(3)27)10-8-6-7-9-11-25(30)31-4/h6,8,13,15,19-24,28-29H,5,7,9-12,14,16H2,1-4H3/b8-6-,15-13+/t19-,20?,21+,22+,23-,24+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCC(OC(=O)C)CC)[C@H](OC(=O)C)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lobophytum depressum (#2486328)
Anthozoa (#6101)
New prostaglandin (PGF) derivatives from the soft coral Lobophytum depressum,
Tetrahedron Letts, 1980

Other Databases

CHEBI ID
185727
LIPIDBANK ID
XPR8053
PubChem CID
5283091

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 1
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 485.82
Topological Polar Surface Area 119.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 4.39
Molar Refractivity 125.06

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Created at
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Updated at
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