Structure Database (LMSD)

Common Name
PGA1
Systematic Name
9-oxo-15S-hydroxy-10Z,13E-prostadienoic acid
Synonyms
  • Prostaglandin A1
  • 15a-Hydroxy-9-oxo-10,13E-prostadienoic acid
  • 15a-Hydroxy-9-oxo-10,13E-prostadienoate
LM ID
LMFA03010005
Status
Active
Exact Mass
Calculate m/z
336.23006
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)
BGKHCLZFGPIKKU-LDDQNKHRSA-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)
C1C(=O)[C@H](CCCCCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)C=1

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR1000
PubChem CID
SwissLipids ID
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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