Structure Database (LMSD)
Common Name
15-keto-PGE2
Systematic Name
9,15-dioxo-11R-hydroxy-5Z,13E-prostadienoic acid
Synonyms
- 15-keto-Prostaglandin E2
LM ID
LMFA03010030
Formula
Exact Mass
Calculate m/z
350.209325
Sum Composition
Status
Active
3D model of 15-keto-PGE2
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
YRTJDWROBKPZNV-KMXMBPPJSA-N
InChi (Click to copy)
InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/C(=O)CCCCC)[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
References
Other Databases
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR1411
PubChem CID
SwissLipids ID
Cayman ID
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
91.67
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
3.75
Molar Refractivity
96.66
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Created at
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Updated at
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