Structure Database (LMSD)

OH HO OH O OH HO
Common Name
19R-hydroxy-PGF1alpha
Systematic Name
9S,11R,15S,19R-tetrahydroxy-13E-prostaenoic acid
Synonyms
  • 19(R)-hydroxy-Prostaglandin F1alpha
LM ID
LMFA03010038
Formula
C20H36O6
Exact Mass
Calculate m/z
372.25119
Sum Composition
FA 20:2;O4
Status
Active
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

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
165314
LIPIDBANK ID
XPR1718
PubChem CID
5283045
Cayman ID
15910

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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