Ketcher 03051809422D 1   1.00000     0.00000     0

 25 24  0     0  0            999 V2000
   15.7621   -7.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6126   -6.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6126   -5.9179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4631   -7.4187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8618   -6.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1297   -6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0964   -5.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9459   -5.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0036   -7.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9459   -4.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0796   -3.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0796   -2.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2131   -2.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3468   -2.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4802   -2.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6138   -2.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6138   -3.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7474   -4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7474   -5.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137   -5.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6138   -6.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7475   -7.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8809   -6.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0144   -7.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8809   -5.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  4  1  0     0  0
  2  3  2  0     0  0
  1  5  1  0     0  0
  9  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  5  9  1  0     0  0
  8 10  2  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 19 25  2  0     0  0
M  END
> <ID>
CHEBI:140239

> <NAME>
(7Z,10Z,13Z,15E,19Z)-17-oxodocosapentaenoic acid

> <DEFINITION>
A docosanoid that is (7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid carrying an oxo substituent at position 17. An intermediate of specialised proresolving mediators.

> <STAR>
3

> <SYNONYM>
17-oxo-omega3-docosapentaenoic acid; 17-oxo-DPAn-3; 17-oxo-DPA(n-3); 17-oxo-DPA; 17-oxo-(7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid

> <IUPAC_NAME>
(7Z,10Z,13Z,15E,19Z)-17-oxodocosa-7,10,13,15,19-pentaenoic acid

> <FORMULA>
C22H32O3

> <MASS>
344.489

> <MONOISOTOPIC_MASS>
344.23514

> <CHARGE>
0

> <SMILES>
C(C(O)=O)CCCC/C=C\C/C=C\C\C=C/C=C/C(C/C=C\CC)=O

> <INCHI>
InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11,13,15-16,19H,2,4,9-10,12,14,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,15-3-,19-16+

> <INCHIKEY>
PWVSFTLICCBISU-UCMLWGQMSA-N

> <REAXYS_REGISTRY_NUMBER>
24889878

> <PUBMED_CITATION>
24736647; 26339618

$$$$