CHEBI:138248 - (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid
ChEBI ID CHEBI:138248
ChEBI ASCII Name (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid
Definition A dihydroxydocosahexaenoic acid that is (4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 13R- and 14S-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C22H32O4
Net Charge 0
Average Mass 360.488
Monoisotopic Mass 360.23006
InChI InChI=1S/C22H32O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h3-4,6-7,9-15,18,20-21,23-24H,2,5,8,16-17,19H2,1H3,(H,25,26)/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t20-,21+/m0/s1
InChIKey ALWYOLKNLLFCAY-GYROAIJESA-N
SMILES C(/C=C/C=C/[C@H]([C@@H](O)C/C=C\C/C=C\CC)O)=C/C/C=C\CCC(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
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): specialised pro-resolving mediator
A class of cell signaling molecules enzymatically derived from n-3 long chain polyunsaturated fatty acids that have important roles in orchestrating the resolution of tissue inflammation.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Application(s): specialised pro-resolving mediator
A class of cell signaling molecules enzymatically derived from n-3 long chain polyunsaturated fatty acids that have important roles in orchestrating the resolution of tissue inflammation.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:138248) has role anti-inflammatory agent (CHEBI:67079)
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:138248) has role human xenobiotic metabolite (CHEBI:76967)
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:138248) has role specialised pro-resolving mediator (CHEBI:140399)
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:138248) is a dihydroxydocosahexaenoic acid (CHEBI:137348)
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:138248) is a secondary allylic alcohol (CHEBI:134396)
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:138248) is conjugate acid of (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate (CHEBI:137442)
Incoming (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate (CHEBI:137442) is conjugate base of (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:138248)
IUPAC Name
(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid
Synonyms Sources
(13R,14S)-diHDHA ChEBI
(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosahexaenoic acid ChEBI
MaR2 ChEBI
maresin 2 ChEBI
Registry Number Type Source
27750204 Reaxys Registry Number Reaxys
Citations
Last Modified
09 March 2018