Structure Database (LMSD)

Common Name
PGE3 1,15-lactone
Systematic Name
9-oxo-11R-hydroxy-5Z,13E,17Z-prostatrienoic acid-1,15S-lactone
Synonyms
  • Prostaglandin E3 1,15-lactone
LM ID
LMFA03010199
Status
Active
Exact Mass
Calculate m/z
332.19876
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)
BZTIGFGJIMLNRE-QLOYDKTKSA-N
InChi (Click to copy)
InChI=1S/C20H28O4/c1-2-3-6-9-15-12-13-17-16(18(21)14-19(17)22)10-7-4-5-8-11-20(23)24-15/h3-4,6-7,12-13,15-17,19,22H,2,5,8-11,14H2,1H3/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
SMILES (Click to copy)
O[C@@H]1CC([C@@H]2CC=CCCCC(=O)O[C@@H](C/C=C\CC)C=C[C@H]21)=O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 351.80
Topological Polar Surface Area 65.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.08
Molar Refractivity 94.31

Admin

Created at
-
Updated at
-