Structure Database (LMSD)

OH HO O OH OH O
Common Name
19R-hydroxy-PGE2
Systematic Name
9-oxo-11R,15S,19R-trihydroxy-5Z,13E-prostadienoic acid
Synonyms
  • 19(R)-hydroxy-Prostaglandin E2
  • 19-hydroxy-PGE2
  • 19-OH-PGE2
LM ID
LMFA03010024
Formula
C20H32O6
Exact Mass
Calculate m/z
368.21989
Sum Composition
FA 20:4;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)
WTJYDBMHYPQFNJ-ZUVVJKHESA-N
InChi (Click to copy)
InChI=1S/C20H32O6/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/h2,4,11-12,14-17,19,21-22,24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14-,15+,16-,17-,19-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCC[C@H](O)C)[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O

References

Other Databases

HMDB ID
HMDB0001908
CHEBI ID
165313
LIPIDBANK ID
XPR1713
PubChem CID
5283038
Cayman ID
14910
GuidePharm ID
1947

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 384.38
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.08
Molar Refractivity 100.07

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Created at
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Updated at
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