15-deoxy-delta(12,14)-prostaglandin J2

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 367
Total Number of Articles : 384
PubChem 91666412
Molecular Formula

C20H27O3-

SMILES

CCCCC/C=C/C=C/1\[C@H](C=CC1=O)C/C=C\CCCC(=O)[O-]

InChI

InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/p-1/b9-7-,10-6+,18-13+/t17-/m0/s1

synonyms
  • 15-deoxy-Delta(12,14)-prostaglandin J2(1-)
  • 15-deoxy-Delta(12,14)-prostaglandin J2
  • CHEBI:85236
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Properties
Property Value
MW 315.4 g/mol
HBD 0
HBA 3
Rotatable Bond Count 10
Exact Mass 315.19601972 g/mol
Monoisotopic Mass 315.19601972 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 490
xlogp 5.6
Topological Polar Surface Area 57.2