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CHEBI:132506 - N-arachidonoyltaurine

ChEBI IDCHEBI:132506
ChEBI NameN-arachidonoyltaurine
Stars
ASCII NameN-arachidonoyltaurine
DefinitionA fatty acid-taurine conjugate derived from arachidonic acid.
Last Modified11 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC22H37NO4S
Net Charge0
Average Mass411.608
Monoisotopic Mass411.24433
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCS(=O)(=O)O
InChIInChI=1S/C22H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21-28(25,26)27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)(H,25,26,27)/b7-6-,10-9-,13-12-,16-15-
InChIKeyYUNYSWCRLRYOPO-DOFZRALJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (18311922)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-arachidonoyltaurine (CHEBI:132506) has functional parent arachidonic acid (CHEBI:15843)
N-arachidonoyltaurine (CHEBI:132506) has role mouse metabolite (CHEBI:75771)
N-arachidonoyltaurine (CHEBI:132506) is a fatty acid-taurine conjugate (CHEBI:132474)
N-arachidonoyltaurine (CHEBI:132506) is conjugate acid of N-arachidonoyltaurine(1−) (CHEBI:132060)
Incoming Relation(s)
N-arachidonoyltaurine(1−) (CHEBI:132060) is conjugate base of N-arachidonoyltaurine (CHEBI:132506)
IUPAC Name 
2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino}ethane-1-sulfonic acid
Synonyms  Source
N-arachidonoyl-taurineChEBI
N-(5Z,8Z,11Z,14Z)-icosatetraenoyl-taurineChEBI
N-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-taurineChEBI
N-(5Z,8Z,11Z,14Z)-eicosatetraenoyltaurineChEBI
N-(5Z,8Z,11Z,14Z)-icosatetraenoyltaurineChEBI
Registry NumbersSources
Reaxys:22828290Reaxys
CAS:119959-65-8ChemIDplus
Citations