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CHEBI:81559 - resolvin E1

ChEBI IDCHEBI:81559
ChEBI Nameresolvin E1
Stars
DefinitionA resolvin that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid which is substituted at positions 5, 12 and 18 by hydroxy groups (the 5S,12R,18R stereoisomer).
Last Modified5 March 2018
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCC[C@@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1
InChIKeyAOPOCGPBAIARAV-OTBJXLELSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood (UBERON:0000178) PubMed (18953024)
- PubMed (15753205)
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)
resolvin E1 (CHEBI:81559) has role anti-inflammatory agent (CHEBI:67079)
resolvin E1 (CHEBI:81559) has role human xenobiotic metabolite (CHEBI:76967)
resolvin E1 (CHEBI:81559) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
resolvin E1 (CHEBI:81559) is a long-chain fatty acid (CHEBI:15904)
resolvin E1 (CHEBI:81559) is a nonclassic icosanoid (CHEBI:61703)
resolvin E1 (CHEBI:81559) is a resolvin (CHEBI:132120)
resolvin E1 (CHEBI:81559) is a triol (CHEBI:27136)
resolvin E1 (CHEBI:81559) is conjugate acid of resolvin E1(1−) (CHEBI:91000)
Incoming Relation(s)
resolvin E1(1−) (CHEBI:91000) is conjugate base of resolvin E1 (CHEBI:81559)
IUPAC Name 
(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid
Synonyms  Source
5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acidKEGG COMPOUND
RvE1HMDB
5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-EPAHMDB
ResolvinE1HMDB
(6Z,8E,10E,14Z,16E)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acidHMDB
5S,12R,18R-trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acidLIPID MAPS
Manual XrefsDatabases
C18171KEGG COMPOUND
HMDB0010410HMDB
LMFA03070019LIPID MAPS
CPD66-57MetaCyc
Registry NumbersSources
Reaxys:11884203Reaxys
Citations