Structure Database (LMSD)
Common Name
PGE1-EA
Systematic Name
N-(9-oxo-11R,15S-dihydroxy-13E-prostenoyl)-ethanolamine
Synonyms
- PGE1-ethanolamine
3D model of PGE1-EA
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)
HLQFDRCTTQBTCE-RCDOCOITSA-N
InChi (Click to copy)
InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h12-13,17-19,21,24-25,27H,2-11,14-16H2,1H3,(H,23,28)/b13-12+/t17-,18+,19+,21+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)NCCO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
1
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
423.83
Topological Polar Surface Area
106.86
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.64
Molar Refractivity
111.70
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Created at
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Updated at
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