Ketcher 04191614132D 1   1.00000     0.00000     0

 24 23  0     0  0            999 V2000
   11.3416   -4.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4755   -4.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6094   -4.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7434   -4.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8775   -4.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8775   -5.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0114   -6.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0114   -7.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8775   -7.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8775   -8.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7434   -9.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6094   -8.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4755   -9.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416   -8.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416   -5.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2076   -6.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2076   -9.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0736   -8.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9396   -9.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8056   -7.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6717   -9.2142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8056   -8.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416   -7.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2076   -7.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15  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  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  2  0     0  0
 13 14  1  0     0  0
 15 16  1  0     0  0
 14 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 22  1  0     0  0
 22 20  2  0     0  0
 22 21  1  0     0  0
 14 23  1  0     0  0
 16 24  1  0     0  0
M  END
> <ID>
CHEBI:130073

> <NAME>
5,20-diHEPE

> <DEFINITION>
An icosanoid that is (6E,8Z,11Z,14Z,17Z)-icosapentaenoic acid substituted at positions 5 and 20 by hydroxy groups.

> <STAR>
3

> <SYNONYM>
5,20-dihydroxy-(6E,8Z,11Z,14Z,17Z)-icosapentaenoic acid; 5,20-DHEPE; (6E,8Z,11Z,14Z,17Z)-5,20-dihydroxyicosapentaenoic acid

> <IUPAC_NAME>
(6E,8Z,11Z,14Z,17Z)-5,20-dihydroxyicosa-6,8,11,14,17-pentaenoic acid

> <FORMULA>
C20H30O4

> <MASS>
334.451

> <MONOISOTOPIC_MASS>
334.21441

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C20H30O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8-12,15,19,21-22H,1,6-7,13-14,16-18H2,(H,23,24)/b4-2-,5-3-,10-8-,11-9-,15-12+

> <INCHIKEY>
YKIUQPPQZSVUED-OBYDOTQASA-N

> <PUBMED_CITATION>
9675028

$$$$