Marvin  02231213422D          

 25 25  0  0  1  0            999 V2000
    8.6427   -4.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1276   -4.0871    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9141   -3.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1276   -5.4220    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9141   -6.2189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9122   -4.3421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9122   -5.1670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6267   -3.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3411   -4.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6267   -5.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3411   -5.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7700   -5.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4845   -5.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0555   -5.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0555   -6.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1989   -5.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9134   -5.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6279   -5.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0571   -3.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7715   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4861   -3.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2005   -1.9629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2005   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9152   -3.1071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0571   -3.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  0  0  0  0
  1  4  1  0  0  0  0
  4  7  1  0  0  0  0
  7  6  1  0  0  0  0
  2  3  1  6  0  0  0
  4  5  1  6  0  0  0
  6  8  1  6  0  0  0
  7 10  1  1  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 14 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 23 22  2  0  0  0  0
 23 24  1  0  0  0  0
  9 25  2  0  0  0  0
 25 19  1  0  0  0  0
M  END
> <ID>
CHEBI:63976

> <NAME>
13,14-dihydro-15-keto-PGF2alpha

> <DEFINITION>
A prostaglandin Fα obtained by formal oxidation of the 15-hydroxy group and hydrogenation of the 13,14-double bond of prostaglandin F2α.

> <STAR>
3

> <SYNONYM>
PGFM; Dhk-pgf2alpha; dhk-PGF2alpha; 9S,11S-dihydroxy-15-oxo-5Z-prostenoic acid; 15-Keto-13,14-dihydroprostaglandin F2alpha; 15-Keto-13,14-dihydroprostaglandin F2-alpha; 15-Keto-13,14-dihydro-pgf2alpha; 13,14-Dihydro-15-ketoprostaglandin F2alpha; 13,14-dihydro-15-keto-Prostaglandin F2a; 13,14-Dihydro-15-keto-pgf2alpha

> <IUPAC_NAME>
(5Z,9alpha,11alpha)-9,11-dihydroxy-15-oxoprost-5-en-1-oic acid

> <FORMULA>
C20H34O5

> <MASS>
354.48100

> <MONOISOTOPIC_MASS>
354.24062

> <CHARGE>
0

> <SMILES>
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O

> <INCHI>
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19-/m1/s1

> <INCHIKEY>
VKTIONYPMSCHQI-XAGFEHLVSA-N

> <CAS_REGISTRY_NUMBER>
27376-76-7

> <REAXYS_REGISTRY_NUMBER>
6227023

> <CHEMIDPLUS>
27376-76-7

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03010027

> <PUBMED_CITATION>
20961606; 21228218; 21615801; 21653895; 21741578; 21924479; 21940119; 22192399

$$$$