Ketcher 02101612062D 1   1.00000     0.00000     0

 25 24  0     1  0            999 V2000
   24.3376   -6.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4716   -6.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6055   -6.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7394   -6.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8734   -6.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8734   -5.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7394   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7394   -3.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8734   -3.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8734   -2.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0074   -1.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1412   -2.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2754   -1.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4092   -2.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4092   -3.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2754   -3.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2754   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1412   -5.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1412   -6.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2754   -6.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4092   -6.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5432   -6.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3376   -5.2432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2034   -6.7432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4092   -5.2432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0     0  0
  7  8  2  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  2  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
  1 23  2  0     0  0
  1 24  1  0     0  0
 17 25  1  1     0  0
M  END
> <ID>
CHEBI:91137

> <NAME>
17(R)-HDoHE

> <DEFINITION>
A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosa-4,7,10,13,15,19-hexaenoic acid carrying a hydroxy substituent at the 17R-position.

> <STAR>
3

> <SYNONYM>
17R-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid; 17R-HDHA; (4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroxydocosahexaenoic acid

> <IUPAC_NAME>
(4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid

> <FORMULA>
C22H32O3

> <MASS>
344.489

> <MONOISOTOPIC_MASS>
344.23514

> <CHARGE>
0

> <SMILES>
C(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](C/C=C\CC)O)(=O)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/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m1/s1

> <INCHIKEY>
SWTYBBUBEPPYCX-NGHKTGSUSA-N

> <REAXYS_REGISTRY_NUMBER>
14339387

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA04000072

> <METACYC_ACCESSION>
CPD-17452

> <PUBMED_CITATION>
12391014; 21724996; 27860453

$$$$