Structure Database (LMSD)

Common Name
15-methyl-15R-PGE2
Systematic Name
9-oxo-11R,15R-dihydroxy-15-methyl-5Z,13E-prostadienoic acid
Synonyms
  • 15-methyl-15R-Prostaglandin E2
LM ID
LMFA03010063
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)
XSGQFHNPNWBVPT-VFXMVCAWSA-N
InChi (Click to copy)
InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-17,19,23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,19-,21-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@](C)(O)CCCCC)[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
XPR1745
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 392.89
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.21
Molar Refractivity 102.78

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Created at
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Updated at
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