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CHEBI:138612 - 4S(5)-epoxy-17R-hydroxydocosahexaenoic acid

ChEBI IDCHEBI:138612
ChEBI Name4S(5)-epoxy-17R-hydroxydocosahexaenoic acid
Stars
ASCII Name4S(5)-epoxy-17R-hydroxydocosahexaenoic acid
DefinitionAn epoxy fatty acid that is (6E,8E,10Z,13Z,15E,19Z)-docosa-6,8,10,13,15,19-hexaenoic acid which is carrying an epoxy group at position 4S and a hydroxy group at position 17R. It is a metabolite of docosahexaenoic acid that can be converted to a D-resolvin.
Last Modified17 October 2019
SubmitterBijay
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C=C\C=C\C1O[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)/b6-4-,9-7-,10-8+,11-3-,15-12+,16-13+/t19-,20?,21+/m1/s1
InChIKeyJQSJFHDWAHTRSL-MPIUFGHVSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4S(5)-epoxy-17R-hydroxydocosahexaenoic acid (CHEBI:138612) has role metabolite (CHEBI:25212)
4S(5)-epoxy-17R-hydroxydocosahexaenoic acid (CHEBI:138612) is a epoxy fatty acid (CHEBI:61498)
4S(5)-epoxy-17R-hydroxydocosahexaenoic acid (CHEBI:138612) is a hydroxydocosahexaenoic acid (CHEBI:72790)
IUPAC Name 
3-{(2S)-3-[(1E,3E,5Z,8Z,10E,12R,14Z)-12-hydroxyheptadeca-1,3,5,8,10,14-hexaen-1-yl]oxiran-2-yl}propanoic acid
Synonyms  Source
4S(5)-epoxy-17(R)-HDHASUBMITTER
4S(5)-epoxy-17R-hydroxy-DHAChEBI
Manual XrefsDatabases
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Citations