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CHEBI:132508 - N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine

ChEBI IDCHEBI:132508
ChEBI NameN-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine
Stars
ASCII NameN-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine
DefinitionA fatty acid-taurine conjugate derived from N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)]-icosatetraenoic acid.
Last Modified11 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC22H37NO6S
Net Charge0
Average Mass443.606
Monoisotopic Mass443.23416
SMILESCCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCS(=O)(=O)O)OO
InChIInChI=1S/C22H37NO6S/c1-2-3-13-16-21(29-25)17-14-11-9-7-5-4-6-8-10-12-15-18-22(24)23-19-20-30(26,27)28/h4-5,8-11,14,17,21,25H,2-3,6-7,12-13,15-16,18-20H2,1H3,(H,23,24)(H,26,27,28)/b5-4-,10-8-,11-9-,17-14+/t21-/m0/s1
InChIKeyMGJLNRAMOCXZAS-BPVVGZHASA-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-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine (CHEBI:132508) has functional parent 15(S)-HPETE (CHEBI:15628)
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine (CHEBI:132508) has role mouse metabolite (CHEBI:75771)
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine (CHEBI:132508) is a fatty acid-taurine conjugate (CHEBI:132474)
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine (CHEBI:132508) is conjugate acid of N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine(1−) (CHEBI:132062)
Incoming Relation(s)
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine(1−) (CHEBI:132062) is conjugate base of N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine (CHEBI:132508)
IUPAC Name 
2-{[(5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoyl]amino}ethane-1-sulfonic acid
Synonyms  Source
N-[15(S)-HPETE]-taurineChEBI
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]taurineChEBI
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]-taurineChEBI
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-taurineChEBI
Citations