Ketcher 02191615292D 1   1.00000     0.00000     0

 25 24  0     1  0            999 V2000
    9.8592   -4.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9932   -4.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1270   -4.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2609   -4.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3950   -4.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3950   -5.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290   -6.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290   -7.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3950   -7.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3950   -8.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2609   -9.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1270   -8.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9932   -9.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8592   -8.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8592   -7.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7252   -7.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8592   -5.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7252   -6.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5912   -7.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4572   -7.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3232   -7.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1892   -6.0296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0553   -7.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1892   -7.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6630   -7.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17  1  1  0     0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 17 18  1  0     0  0
 16 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 24  1  0     0  0
 24 22  2  0     0  0
 24 23  1  0     0  0
  8 25  1  1     0  0
M  END
> <ID>
CHEBI:91274

> <NAME>
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid

> <DEFINITION>
A polyunsaturated hydroxy fatty acid that consists of (7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid bearing a single hydroxy substituent at the 13R-position.

> <STAR>
3

> <SYNONYM>
(13R)-hydroxy-(7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid

> <IUPAC_NAME>
(7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosa-7,10,14,16,19-pentaenoic acid

> <FORMULA>
C22H34O3

> <MASS>
346.504

> <MONOISOTOPIC_MASS>
346.25079

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C22H34O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h3-4,6-7,9,12-13,15-16,18,21,23H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,16-13-,18-15+/t21-/m0/s1

> <INCHIKEY>
FYXSGJODUCMLMK-RFPXNJKWSA-N

> <PUBMED_CITATION>
26236990

$$$$