Structure Database (LMSD)

OH O OH OH O
Common Name
19-hydroxy-PGA2
Systematic Name
9oxo-15S,19-dihydroxy-5Z,10Z,13E-prostatrienoic acid
Synonyms
  • 19-hydroxy-Prostaglandin A2
LM ID
LMFA03010130
Formula
C20H30O5
Exact Mass
Calculate m/z
350.209325
Sum Composition
FA 20:5;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
RXYQCXVUMLSFHM-CKCSCOOESA-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/h2,4,11-18,21-22H,3,5-10H2,1H3,(H,24,25)/b4-2-,13-11+/t15?,16-,17-,18+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCC(O)C)C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O

References

Other Databases

LIPIDBANK ID
XPR1031
PubChem CID
5283110

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 3.60
Molar Refractivity 98.07

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Created at
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Updated at
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