Structure Database (LMSD)

Common Name
5E-PGB2
Systematic Name
15S-hydroxy-9-oxo-5E,8(12),13E-prostatrienoic acid
Synonyms
  • 5E-Prostaglandin B2
LM ID
LMFA03010235
Status
Active
Exact Mass
Calculate m/z
334.21441
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)
PRFXRIUZNKLRHM-OSJNIVAESA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4+,14-12+/t17-/m0/s1
SMILES (Click to copy)
C1(/C=C/[C@@H](O)CCCCC)CCC(=O)C=1C/C=C/CCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lobophytum sarcophytoides (#358784)
Anthozoa (#6101)
Anti-Inflammatory Cembrane-Type Diterpenoids and Prostaglandins from Soft Coral Lobophytum sarcophytoides.,
Mar Drugs, 2019
Pubmed ID: 31430922

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 364.16
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.63
Molar Refractivity 96.31

Admin

Created at
26th Feb 2021
Updated at
26th Feb 2021