Structure Database (LMSD)

OH OH O O OH
Common Name
19R-hydroxy-PGB2
Systematic Name
9-oxo-15S,19R-dihydroxy-5Z,8(12),13E-prostatrienoic acid
Synonyms
  • 19(R)-hydroxy-Prostaglandin B2
LM ID
LMFA03010167
Formula
C20H30O5
Exact Mass
Calculate m/z
350.209325
Sum Composition
FA 20:5;O3
Status
Active
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Main

Classification

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

String Representations

InChiKey (Click to copy)
PPYRMVKHPFIXEU-NIDWPLIZSA-N
InChi (Click to copy)
InChI=1S/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11,13,15,17,21-22H,3,5-10,12,14H2,1H3,(H,24,25)/b4-2-,13-11+/t15-,17+/m1/s1
SMILES (Click to copy)
C(CCC/C=C\CC1=C(/C=C/[C@@H](O)CCC[C@H](O)C)CCC1=O)(=O)O

References

Other Databases

CHEBI ID
165311
PubChem CID
16061099

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 372.95
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.89
Molar Refractivity 98.21

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Created at
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Updated at
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