Ketcher 08021611072D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:132908

> <NAME>
5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid

> <DEFINITION>
A polyunsaturated fatty acid that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid substituted at positions 5 and 18 by hydroperoxy and hydroxy groups respectively (the 5S, 18R-stereoisomer).

> <STAR>
3

> <SYNONYM>
5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoic acid; 5(S)-Hp-18(R)-HEPE; 18(R)-hydroxy-5(S)-HpEPE; (5S)-hydroperoxy-(18R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid; (5S)-hydroperoxy-(18R)-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoic acid

> <IUPAC_NAME>
(5S,6E,8Z,11Z,14Z,16E,18R)-5-hydroperoxy-18-hydroxyicosa-6,8,11,14,16-pentaenoic acid

> <FORMULA>
C20H30O5

> <MASS>
350.450

> <MONOISOTOPIC_MASS>
350.20932

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C20H30O5/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(25-24)16-13-17-20(22)23/h3-4,7-12,14-15,18-19,21,24H,2,5-6,13,16-17H2,1H3,(H,22,23)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19-/m1/s1

> <INCHIKEY>
JIOJPWROWDJRKM-NNQKPOSRSA-N

> <REAXYS_REGISTRY_NUMBER>
14535272

> <PUBMED_CITATION>
21206090

$$$$