Structure Database (LMSD)

Common Name
15R-PGE2 methyl ester
Systematic Name
methyl 9-oxo-11R,15R-dihydroxy-5Z,13E-prostadienoate
Synonyms
  • 15R-Prostaglandin E2 methyl ester
LM ID
LMFA03010095
Status
Active
Exact Mass
Calculate m/z
366.240625
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WGCXTGBZBFBQPP-KKUAIEMYSA-N
InChi (Click to copy)
InChI=1S/C21H34O5/c1-3-4-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-6-9-12-21(25)26-2/h5,8,13-14,16-18,20,22,24H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17-,18-,20-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC

References

Other Databases

CHEBI ID
LIPIDBANK ID
XPR8049
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 392.89
Topological Polar Surface Area 83.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.91
Molar Refractivity 102.55

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Created at
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Updated at
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