12-oxophytodienoic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 54
Total Number of Articles : 49
PubChem 10334541
Molecular Formula

C18H28O3

SMILES

CC/C=C\CC1C(C=CC1=O)CCCCCCCC(=O)O

InChI

InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-

synonyms
  • cis-12-oxophytodienoic acid
  • 12-Oxophytodienoic acid
  • 8-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
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Properties
Property Value
MW 292.4 g/mol
HBD 1
HBA 3
Rotatable Bond Count 11
Exact Mass 292.20384475 g/mol
Monoisotopic Mass 292.20384475 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 382
xlogp 4.7
Topological Polar Surface Area 54.4