Structure Database (LMSD)

Common Name
19R-hydroxy-PGF1alpha
Systematic Name
9S,11R,15S,19R-tetrahydroxy-13E-prostaenoic acid
Synonyms
  • 19(R)-hydroxy-Prostaglandin F1alpha
LM ID
LMFA03010038
Status
Active
Exact Mass
Calculate m/z
372.25119
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)
JRNZEGAFLBTZDT-IRMCVWCUSA-N
InChi (Click to copy)
InChI=1S/C20H36O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-12,14-19,21-24H,2-10,13H2,1H3,(H,25,26)/b12-11+/t14-,15+,16-,17-,18+,19-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCC[C@H](O)C)[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
XPR1718
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 389.66
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 3.38
Molar Refractivity 101.68

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Created at
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Updated at
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