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CHEBI:81564 - resolvin D1

ChEBI IDCHEBI:81564
ChEBI Nameresolvin D1
Stars
DefinitionA resolvin that is docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid which is substituted by hydroxy groups at the 7, 8, and 17 positions (the 7S,8R,17S-stereoisomer).
Last Modified5 March 2018
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O5/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-,20+,21-/m0/s1
InChIKeyOIWTWACQMDFHJG-CCFUIAGSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (21359215)
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 Role:
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 D1 (CHEBI:81564) has role anti-inflammatory agent (CHEBI:67079)
resolvin D1 (CHEBI:81564) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
resolvin D1 (CHEBI:81564) is a resolvin (CHEBI:132120)
resolvin D1 (CHEBI:81564) is a triol (CHEBI:27136)
resolvin D1 (CHEBI:81564) is conjugate acid of resolvin D1(1−) (CHEBI:132079)
Incoming Relation(s)
resolvin D1(1−) (CHEBI:132079) is conjugate base of resolvin D1 (CHEBI:81564)
IUPAC Name 
(4Z,7S,8R,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid
Synonyms  Source
7S,8R,17S-Trihydroxydocosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acidKEGG COMPOUND
7S,8,17S-Trihydroxy-docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoateHMDB
7S,8,17S-Trihydroxy-docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acidHMDB
RvD1HMDB
Manual XrefsDatabases
C18178KEGG COMPOUND
HMDB0003733HMDB
LMFA04000006LIPID MAPS
CPD66-64MetaCyc
Registry NumbersSources
Reaxys:20871109Reaxys
Citations