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

ChEBI IDCHEBI:138248
ChEBI Name(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoic acid
Stars
ASCII Name(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid
DefinitionA 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.
Last Modified9 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESCC/C=C\C/C=C\C[C@H](O)[C@H](O)/C=C/C=C/C=C\C/C=C\CCC(=O)O
InChIInChI=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
InChIKeyALWYOLKNLLFCAY-GYROAIJESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (25036362)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
Applications:
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.
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
MaR2ChEBI
(13R,14S)-diHDHAChEBI
maresin 2ChEBI
(4Z,7Z,9E,11E,13R,14S,16Z,19Z )-13,14-dihydroxydocosahexaenoic acidChEBI
Registry NumbersSources
Reaxys:27750204Reaxys
Citations