Structure Database (LMSD)
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
Exact Mass
Calculate m/z
350.209325
Sum Composition
Status
Active
3D model of 19-hydroxy-PGA2
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
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
Other Databases
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
Admin
Created at
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Updated at
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