Structure Database (LMSD)

Common Name
15-epi-PGA1
Systematic Name
9-oxo-15R-hydroxy-10Z,13E-prostadienoic acid
Synonyms
  • 15-epi-Prostaglandin A1
LM ID
LMFA03010047
Status
Active
Exact Mass
Calculate m/z
336.23006
Formula
Abbrev


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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)
BGKHCLZFGPIKKU-AHUSATQRSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/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/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17+,18+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@H](O)CCCCC)C=CC(=O)[C@@H]1CCCCCCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
XPR1728
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 366.80
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.57
Molar Refractivity 96.27

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Created at
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Updated at
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