Marvin  06061316002D          

 21 21  0  0  1  0            999 V2000
    6.9622  -12.0072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6245  -12.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6953  -11.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9622  -11.2009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1560  -12.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1560  -10.9705    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3445  -12.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445  -11.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8968  -10.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8681  -13.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6245  -10.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0355  -12.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0355  -13.2454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7553  -12.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8573  -12.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4753  -12.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1663  -12.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5772  -12.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0643  -10.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7842  -11.2584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0797  -10.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  7  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  4 11  1  6  0  0  0
  5 10  1  6  0  0  0
  6  9  1  6  0  0  0
 12  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 17 16  1  0  0  0  0
  8 19  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
> <ID>
CHEBI:73983

> <NAME>
2,3,4,5-tetranor-15-oxoprostaglandin F2alpha

> <DEFINITION>
A prostanoid that is prostaglandin F2α  which is lacking two methylenes in the carboxyalkyl chain and in which the hydroxy group at position 15 has been oxidised to the corresponding ketone.

> <STAR>
3

> <SYNONYM>
2,3,4,5-tetranor-15-oxo-prostaglandin F2alpha; 2,3,4,5-tetranor-15-oxo-PGF2alpha; 2,3,4,5-tetranor-15-keto-PGF2alpha; 15-keto-2,3,4,5-tetranorprostaglandin F2alpha; 15-keto-2,3,4,5-tetranor-PGF2alpha

> <IUPAC_NAME>
3-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-oxooct-1-en-1-yl]cyclopentyl}propanoic acid; (13E)-9alpha,11alpha-dihydroxy-2,3,4,5-tetranor-15-oxoprosta-13-en-1-oic acid

> <FORMULA>
C16H26O5

> <MASS>
298.37460

> <MONOISOTOPIC_MASS>
298.17802

> <CHARGE>
0

> <SMILES>
CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCC(O)=O

> <INCHI>
InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h6-7,12-15,18-19H,2-5,8-10H2,1H3,(H,20,21)/b7-6+/t12-,13-,14-,15+/m1/s1

> <INCHIKEY>
BZVKQDSLFYXLAI-BNBDNKSYSA-N

$$$$