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CHEBI:747582 - 4S5)-epoxy-17(S)-hydroxydocosahexaenoate

Default Structure
ChEBI IDCHEBI:747582
ChEBI Name4S5)-epoxy-17(S)-hydroxydocosahexaenoate
Stars
ASCII Name4S(5)-epoxy-17(S)-hydroxydocosahexaenoate
DefinitionA hydroxydocosahexaenoate that is the conjugate base of 4S(5)-epoxy-17(S)-hydroxydocosahexaenoic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Last Modified17 April 2026
SubmitterAdnan
DownloadsMolfile
FormulaC22H29O4
Net Charge-1
Average Mass357.470
Monoisotopic Mass357.20713
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCC(=O)[O-]
InChIInChI=1S/C22H30O4/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20-21(26-20)17-18-22(24)25/h3-4,6-13,15-16,19-21,23H,2,5,14,17-18H2,1H3,(H,24,25)/p-1/b6-4-,9-7-,10-8+,11-3-,15-12+,16-13+/t19-,20-,21-/m0/s1
InChIKeyJQSJFHDWAHTRSL-XSBXIELMSA-M
ChEBI Ontology
Outgoing Relation(s)
4S5)-epoxy-17(S)-hydroxydocosahexaenoate (CHEBI:747582) is a epoxydocosahexaenoate (CHEBI:157774)
4S5)-epoxy-17(S)-hydroxydocosahexaenoate (CHEBI:747582) is a hydroxydocosahexaenoate (CHEBI:131867)
4S5)-epoxy-17(S)-hydroxydocosahexaenoate (CHEBI:747582) is conjugate base of 4S(5)-epoxy-17(S)-hydroxydocosahexaenoic acid (CHEBI:138647)
Incoming Relation(s)
4S(5)-epoxy-17(S)-hydroxydocosahexaenoic acid (CHEBI:138647) is conjugate acid of 4S5)-epoxy-17(S)-hydroxydocosahexaenoate (CHEBI:747582)
IUPAC Name 
3-{(2S,3S)-3-[(1E,3E,5Z,8Z,10E,12S,14Z)-12-hydroxyheptadeca-1,3,5,8,10,14-hexaen-1-yl]oxiran-2-yl}propanoate
Synonyms  Source
4S(5)-epoxy-17S-HDHA anionChEBI
4S(5)-epoxy-17(S)-HDHA anionChEBI
4S(5)-epoxy-17S-hydroxy-DHA anionChEBI
4S(5)-epoxy-17S-hydroxydocosahexaenoic acid anionChEBI
4S,5S-epoxy-17S-HDHA anionChEBI
4S,5S-epoxy-17S-hydroxy-6E,8E,10Z,13Z,15E,19Z-docosahexaenoateChEBI