CHEBI:72789 - 15-epi-lipoxin A4

ChEBI IDCHEBI:72789
ChEBI Name15-epi-lipoxin A4
Stars
ASCII Name15-epi-lipoxin A4
DefinitionA C20 hydroxy polyunsaturated fatty acid having (5S)-, (6R)- and (15R)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds.
Last Modified5 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESCCCCC[C@@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19+/m1/s1
InChIKeyIXAQOQZEOGMIQS-JEWNPAEBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
15-epi-lipoxin A4 (CHEBI:72789) has role metabolite (CHEBI:25212)
15-epi-lipoxin A4 (CHEBI:72789) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
15-epi-lipoxin A4 (CHEBI:72789) is a lipoxin (CHEBI:6497)
15-epi-lipoxin A4 (CHEBI:72789) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
Synonyms  Source
15R-LXA4ChEBI
15-epi-LXA4ChEBI
Manual XrefsDatabases
HMDB0012587HMDB
Registry NumbersSources
Reaxys:8358078Reaxys