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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid
ChEBI ID CHEBI:138641
ChEBI ASCII Name 4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information ChemicalBook:CB22589642, Selleckchem:tideglusib, ZINC000013985228
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.493
Monoisotopic Mass 376.22497
InChI InChI=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
InChIKey ZKUDWLWHTKEJGJ-OSKNXYPTSA-N
SMILES CC\C=C/C[C@H](O)\C=C\C=C/C\C=C/C\C=C/C=C/[C@H](CCC(O)=O)OO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via hydroxydocosahexaenoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid (CHEBI:138641) is enantiomer of 4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid (CHEBI:138601)
Incoming 4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid (CHEBI:138601) is enantiomer of 4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid (CHEBI:138641)
IUPAC Name
(4S,5E,7Z,10Z,13Z,15E,17S,19Z)-4-hydroperoxy-17-hydroxydocosa-5,7,10,13,15,19-hexaenoic acid
Synonyms Sources
4(S)-Hp-17(S)-HDHA SUBMITTER
4(S)-hydroperoxy-17(S)-HDHA ChEBI
4S-hydroperoxy-17S-HDHA LIPID MAPS
4S-hydroperoxy-17S-hydroxy-5E,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid LIPID MAPS
4S-hydroperoxy-17S-hydroxy-DHA ChEBI
Manual Xref Database
LMFA04000068 LIPID MAPS
View more database links
Citation Waiting for Citations Type Source
21766791 PubMed citation Europe PMC
Last Modified
24 January 2023