Ketcher 07181610522D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:132671

> <NAME>
(12S)-hydroperoxy-(14R,15S)-epoxy-(5Z,8Z,10E)-icosatrienoic acid

> <DEFINITION>
A hydroperoxy fatty acid that is (14R,15S)-epoxy-(5Z,8Z,10E)-icosatrienoic acid in which the hydroperoxy group is located at position 12S.

> <STAR>
3

> <SYNONYM>
(12S)-hydroperoxy-(14R,15S)-epoxy-(5Z,8Z,10E)-eicosatrienoic acid; (12S)-hydroperoxy-(14R,15S)-EET; (12S)-HP-(14R,15S)-EET

> <IUPAC_NAME>
(5Z,8Z,10E,12S)-12-hydroperoxy-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,10-trienoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.466

> <MONOISOTOPIC_MASS>
352.22497

> <CHARGE>
0

> <SMILES>
C(CCC(O)=O)/C=C\C/C=C\C=C\[C@H](C[C@@H]1[C@H](CCCCC)O1)OO

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-10-14-18-19(24-18)16-17(25-23)13-11-8-6-4-5-7-9-12-15-20(21)22/h5-8,11,13,17-19,23H,2-4,9-10,12,14-16H2,1H3,(H,21,22)/b7-5-,8-6-,13-11+/t17-,18+,19-/m1/s1

> <INCHIKEY>
FRAUAYJDJWCREF-UZZJIDQZSA-N

> <PUBMED_CITATION>
25293588

$$$$