Structure Database (LMSD)

Common Name
16,16-dimethyl-PGA1
Systematic Name
9-oxo-15R-hydroxy-16,16-dimethyl-10Z,13E-prostadienoic acid
Synonyms
  • 16,16-dimethyl-Prostaglandin A1
LM ID
LMFA03010085
Status
Active
Exact Mass
Calculate m/z
364.26136
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
CTQQHQGBBMYJPT-DZFVFWAGSA-N
InChi (Click to copy)
InChI=1S/C22H36O4/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/h12-15,17-18,20,24H,4-11,16H2,1-3H3,(H,25,26)/b15-13+/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]1CCCCCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Effects of dimethyl prostaglandin A1 on herpes simplex virus and human immunodeficiency virus replication,
Antimicrob Agents Chemother, 1992
Pubmed ID: 1332592

Other Databases

CHEBI ID
LIPIDBANK ID
XPR1767
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 401.40
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.20
Molar Refractivity 105.43

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Updated at
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