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CHEBI:132062 - N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine(1−)

ChEBI IDCHEBI:132062
ChEBI NameN-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine(1−)
Stars
ASCII NameN-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine(1-)
DefinitionA fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine; major species at pH 7.3.
Last Modified11 July 2016
Submitterlaimo
DownloadsMolfile
FormulaC22H36NO6S
Net Charge-1
Average Mass442.598
Monoisotopic Mass442.22688
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)/p-1/b5-4-,10-8-,11-9-,17-14+/t21-/m0/s1
InChIKeyMGJLNRAMOCXZAS-BPVVGZHASA-M
ChEBI Ontology
Outgoing Relation(s)
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine(1−) (CHEBI:132062) is a fatty acid-taurine conjugate(1−) (CHEBI:132040)
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)
Incoming Relation(s)
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)
Synonyms  Source
N-[15(S)-HPETE]-taurine(1−)SUBMITTER
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-taurine(1−)ChEBI
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]taurine(1−)ChEBI
UniProt Name  Source
N-(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl-taurineUniProt
Citations