Structure Database (LMSD)

OH O O O O O OH HO
Common Name
18-acetoxy-PGF2alpha-11-acetate
Systematic Name
9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadienoic acid
Synonyms
  • 18-acetoxy-Prostaglandin F2alpha-11-acetate
LM ID
LMFA03010098
Formula
C24H38O8
Exact Mass
Calculate m/z
454.25667
Sum Composition
FA 24:5;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)
RPLPBOQMXRLFMI-WWHNEAPVSA-N
InChi (Click to copy)
InChI=1S/C24H38O8/c1-4-19(31-16(2)25)13-11-18(27)12-14-21-20(9-7-5-6-8-10-24(29)30)22(28)15-23(21)32-17(3)26/h5,7,12,14,18-23,27-28H,4,6,8-11,13,15H2,1-3H3,(H,29,30)/b7-5-,14-12+/t18-,19?,20+,21+,22-,23+/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)O

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
165309
LIPIDBANK ID
XPR8052
PubChem CID
5283090

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 1
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 468.52
Topological Polar Surface Area 130.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
logP 4.30
Molar Refractivity 120.68

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Updated at
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