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CHEBI:132797 - 8-oxoresolvin D1

ChEBI IDCHEBI:132797
ChEBI Name8-oxoresolvin D1
Stars
DefinitionA resolvin that is docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid which is substituted by hydroxy groups at the 7 and 17 positions as well as an oxo group at the 8-position (the 7S,17S-stereoisomer).
Last Modified5 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\C(=O)[C@@H](O)C/C=C\CCC(=O)O
InChIInChI=1S/C22H30O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19,21,23,25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,21-/m0/s1
InChIKeyLUPPRXHPUZNWES-BZRROHBCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (17244615)
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 Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
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)
8-oxoresolvin D1 (CHEBI:132797) has role anti-inflammatory agent (CHEBI:67079)
8-oxoresolvin D1 (CHEBI:132797) has role human xenobiotic metabolite (CHEBI:76967)
8-oxoresolvin D1 (CHEBI:132797) is a diol (CHEBI:23824)
8-oxoresolvin D1 (CHEBI:132797) is a enone (CHEBI:51689)
8-oxoresolvin D1 (CHEBI:132797) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
8-oxoresolvin D1 (CHEBI:132797) is a oxo fatty acid (CHEBI:59644)
8-oxoresolvin D1 (CHEBI:132797) is a resolvin (CHEBI:132120)
8-oxoresolvin D1 (CHEBI:132797) is a secondary α-hydroxy ketone (CHEBI:2468)
8-oxoresolvin D1 (CHEBI:132797) is conjugate acid of 8-oxoresolvin D1(1−) (CHEBI:132080)
Incoming Relation(s)
8-oxoresolvin D1(1−) (CHEBI:132080) is conjugate base of 8-oxoresolvin D1 (CHEBI:132797)
IUPAC Name 
(4Z,7S,9E,11E,13Z,15E,17S,19Z)-7,17-dihydroxy-8-oxodocosa-4,9,11,13,15,19-hexaenoic acid
Synonyms  Source
8-oxo-RvD1LIPID MAPS
8-oxo-(7S,17S)-dihydroxy-(4Z,9E,11E,13Z,15E,19Z)-docosahexaenoic acidChEBI
8-oxo-7S,17S-dihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acidChEBI
Manual XrefsDatabases
LMFA04000079LIPID MAPS
Citations