CHEBI:138614 - aspirin-triggered resolvin D2

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ChEBI Name aspirin-triggered resolvin D2
ChEBI ID CHEBI:138614
Definition A member of the class of resolvins that is (4Z,8E,10Z,12E,14E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17 (the 7S,16R,17R-stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information ZINC000169309052
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.487
Monoisotopic Mass 376.22497
InChI InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20+,21+/m0/s1
InChIKey IKFAUGXNBOBQDM-VSXQVJIISA-N
SMILES C(C(O)=O)C/C=C\C[C@H](\C=C\C=C/C=C/C=C/[C@H]([C@@H](C/C=C\CC)O)O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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.
(via resolvin )
Application(s): 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.
(via resolvin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aspirin-triggered resolvin D2 (CHEBI:138614) has role anti-inflammatory agent (CHEBI:67079)
aspirin-triggered resolvin D2 (CHEBI:138614) has role human xenobiotic metabolite (CHEBI:76967)
aspirin-triggered resolvin D2 (CHEBI:138614) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
aspirin-triggered resolvin D2 (CHEBI:138614) is a resolvin (CHEBI:132120)
aspirin-triggered resolvin D2 (CHEBI:138614) is a secondary allylic alcohol (CHEBI:134396)
aspirin-triggered resolvin D2 (CHEBI:138614) is a triol (CHEBI:27136)
IUPAC Name
(4Z,7R,8E,10Z,12E,14E,16R,17R,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid
Synonyms Sources
(4Z,7R,8E,10Z,12E,14E,16R,17R,19Z)-7,16,17-trihydroxydocosahexaenoic acid ChEBI
17-epi-resolvin D2 ChEBI
17-epi-RvD2 ChEBI
7S,16R,17R-trihydroxy-4Z,8E,10Z,12E,14E,19Z-docosahexaenoic acid LIPID MAPS
aspirin-triggered resolvin D2 ChEBI
aspirin-triggered RvD2 ChEBI
AT-RvD2 SUBMITTER
Manual Xrefs Databases
CPD66-61 MetaCyc
LMFA04030006 LIPID MAPS
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Citation
Last Modified
05 March 2018