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CHEBI:132800 - 17-oxoresolvin D1

ChEBI IDCHEBI:132800
ChEBI Name17-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 8 positions as well as an oxo group at the 17-position (the 7S,8R-stereoisomer).
Last Modified5 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESCC/C=C\CC(=O)/C=C/C=C\C=C\C=C\[C@@H](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/h3-12,15-16,20-21,24-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t20-,21+/m1/s1
InChIKeyUKRCOMRGFCFHQM-VPHBCXEASA-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.
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)
17-oxoresolvin D1 (CHEBI:132800) has role human xenobiotic metabolite (CHEBI:76967)
17-oxoresolvin D1 (CHEBI:132800) is a diol (CHEBI:23824)
17-oxoresolvin D1 (CHEBI:132800) is a enone (CHEBI:51689)
17-oxoresolvin D1 (CHEBI:132800) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
17-oxoresolvin D1 (CHEBI:132800) is a oxo fatty acid (CHEBI:59644)
17-oxoresolvin D1 (CHEBI:132800) is a resolvin (CHEBI:132120)
17-oxoresolvin D1 (CHEBI:132800) is a secondary allylic alcohol (CHEBI:134396)
17-oxoresolvin D1 (CHEBI:132800) is conjugate acid of 17-oxoresolvin D1(1−) (CHEBI:132081)
Incoming Relation(s)
17-oxoresolvin D1(1−) (CHEBI:132081) is conjugate base of 17-oxoresolvin D1 (CHEBI:132800)
IUPAC Name 
(4Z,7S,8R,9E,11E,13Z,15E,19Z)-7,8-dihydroxy-17-oxodocosa-4,9,11,13,15,19-hexaenoic acid
Synonyms  Source
17-oxo-(7S,8R)-dihydroxy-(4Z,9E,11E,13Z,15E,19Z)-docosahexaenoic acidChEBI
17-oxo-RvD1LIPID MAPS
17-oxo-7S,8R-dihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acidLIPID MAPS
Manual XrefsDatabases
LMFA04000080LIPID MAPS
Citations