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CHEBI:140193 - (7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid

ChEBI IDCHEBI:140193
ChEBI Name(7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid
Stars
ASCII Name(7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid
DefinitionA dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7S- and 14S-positions.
Secondary ChEBI IDCHEBI:140246
Last Modified9 March 2018
SubmitterBijay, Steve
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESCC/C=C\C/C=C\C[C@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11-,17-12+/t20-,21+/m0/s1
InChIKeyHLHYXXBCQOUTGK-NVFVPEJPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (19103881)
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.
Application:
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.
ChEBI Ontology
Outgoing Relation(s)
(7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:140193) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
(7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:140193) has role human xenobiotic metabolite (CHEBI:76967)
(7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:140193) has role specialised pro-resolving mediator (CHEBI:140399)
(7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:140193) is a dihydroxydocosahexaenoic acid (CHEBI:137348)
(7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:140193) is a secondary allylic alcohol (CHEBI:134396)
(7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:140193) is conjugate acid of (7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoate (CHEBI:140350)
Incoming Relation(s)
(7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoate (CHEBI:140350) is conjugate base of (7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:140193)
IUPAC Name 
(4Z,7S,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
Synonyms  Source
(4Z,7S,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosahexaenoic acidChEBI
7-epi-MaR1ChEBI
7-epi-maresin 1ChEBI
(7S)-maresin 1ChEBI
(7S)-MaR1ChEBI
(7S,14S)-dihydroxydocosahexaenoic acidChEBI
Registry NumbersSources
Reaxys:21813988Reaxys
Citations