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CHEBI:138641 - 4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid

ChEBI IDCHEBI:138641
ChEBI Name4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid
Stars
ASCII Name4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid
DefinitionA hydroperoxy fatty acid that is (5E,7Z,10Z,13Z,15E,19Z)-docosa-5,7,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 4S-position and a hydroxy group at the 17S-position.
Last Modified24 January 2023
SubmitterBijay
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\C=C\[C@H](CCC(=O)O)OO
InChIInChI=1S/C22H32O5/c1-2-3-12-15-20(23)16-13-10-8-6-4-5-7-9-11-14-17-21(27-26)18-19-22(24)25/h3-5,8-14,16-17,20-21,23,26H,2,6-7,15,18-19H2,1H3,(H,24,25)/b5-4-,10-8-,11-9-,12-3-,16-13+,17-14+/t20-,21+/m0/s1
InChIKeyZKUDWLWHTKEJGJ-OSKNXYPTSA-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 Role:
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)
4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid (CHEBI:138641) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid (CHEBI:138641) is a hydroxydocosahexaenoic acid (CHEBI:72790)
IUPAC Name 
(4S,5E,7Z,10Z,13Z,15E,17S,19Z)-4-hydroperoxy-17-hydroxydocosa-5,7,10,13,15,19-hexaenoic acid
Synonyms  Source
4(S)-Hp-17(S)-HDHASUBMITTER
4(S)-hydroperoxy-17(S)-HDHAChEBI
4S-hydroperoxy-17S-HDHALIPID MAPS
4S-hydroperoxy-17S-hydroxy-DHAChEBI
4S-hydroperoxy-17S-hydroxy-5E,7Z,10Z,13Z,15E,19Z-docosahexaenoic acidLIPID MAPS
Manual XrefsDatabases
LMFA04000068LIPID MAPS
Citations