Structure Database (LMSD)

Common Name
13,14-dihydro-15-keto-PGA2
Systematic Name
9,15-dioxo-5Z,10-prostadienoic acid
Synonyms
  • 13,14-dihydro-15-keto-Prostaglandin A2
LM ID
LMFA03010033
Status
Active
Exact Mass
Calculate m/z
334.21441
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)
FMKLAIBZMCURLI-BFVRRIQPSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3,(H,23,24)/b7-4-/t16-,18+/m0/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
XPR1729
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 364.16
Topological Polar Surface Area 71.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.49
Molar Refractivity 94.75

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Created at
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Updated at
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