Structure Database (LMSD)

Common Name
2,3-dinor, 6-keto-PGF1alpha
Systematic Name
6-oxo-9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid
Synonyms
  • 2,3-dinor, 6-keto-Prostaglandin F1alpha
LM ID
LMFA03010089
Status
Active
Exact Mass
Calculate m/z
342.20424
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)
DNKGWNLXBRCUCF-NLOSNHEGSA-N
InChi (Click to copy)
InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16+,17-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
XPR1821
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 352.42
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.52
Molar Refractivity 90.93

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Created at
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Updated at
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