Structure Database (LMSD)

Common Name
16,16-dimethyl-PGA2
Systematic Name
9oxo-15R-hydroxy-16,16-dimethyl-5Z,10Z,13E-prostatrienoic acid
Synonyms
  • 16,16-dimethyl-Prostaglandin A2
LM ID
LMFA03010086
Formula
C22H34O4
Exact Mass
Calculate m/z
362.24571
Sum Composition
FA 22:5;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Antiviral activity of a synthetic analog of prostaglandin A in mice infected with influenza A virus.,
Arch Virol, 1988
Pubmed ID: 3355375

String Representations

InChiKey (Click to copy)
MOTPSJUHMGPRFZ-QEJIITRLSA-N
InChi (Click to copy)
InChI=1S/C22H34O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h6,8,12-15,17-18,20,24H,4-5,7,9-11,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)C(C)(C)CCCC)C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O

Other Databases

CHEBI ID
178528
LIPIDBANK ID
XPR1768
PubChem CID
5283083
Cayman ID
10280

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 398.76
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.98
Molar Refractivity 105.34

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Updated at
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