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M  END
> <ID>
CHEBI:136113

> <NAME>
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid

> <DEFINITION>
A docosanoid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying a hydroperoxy substituent at position 17S.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:138639

> <SYNONYM>
17S-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid; 17S-HpDHA; 17(S)-Hp-DHA; (4Z,7Z,10Z,13Z,15E,17S,19Z)-hydroperoxydocosahexaenoic acid; (17S)-hydroperoxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid; (17S)-HPDoHE; (17S)-HPDHA

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

> <FORMULA>
C22H32O4

> <MASS>
360.488

> <MONOISOTOPIC_MASS>
360.23006

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1

> <INCHIKEY>
BNHQALRBDJVUQB-YTQNUIGOSA-N

> <REAXYS_REGISTRY_NUMBER>
14339389

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA04000051

> <METACYC_ACCESSION>
CPD66-80

> <PUBMED_CITATION>
19324874; 23919613

$$$$