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CHEBI:132061 - N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine(1−)

ChEBI IDCHEBI:132061
ChEBI NameN-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine(1−)
Stars
ASCII NameN-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine(1-)
DefinitionA fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine; major species at pH 7.3.
Last Modified10 March 2020
Submitterlaimo
DownloadsMolfile
FormulaC22H36NO6S
Net Charge-1
Average Mass442.598
Monoisotopic Mass442.22688
SMILESCCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)NCCS(=O)(=O)[O-])OO
InChIInChI=1S/C22H37NO6S/c1-2-3-4-5-10-13-16-21(29-25)17-14-11-8-6-7-9-12-15-18-22(24)23-19-20-30(26,27)28/h7-11,13-14,17,21,25H,2-6,12,15-16,18-20H2,1H3,(H,23,24)(H,26,27,28)/p-1/b9-7-,11-8-,13-10-,17-14+/t21-/m0/s1
InChIKeySSECKXODJGCASI-KUJNIBRASA-M
ChEBI Ontology
Outgoing Relation(s)
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine(1−) (CHEBI:132061) is a fatty acid-taurine conjugate(1−) (CHEBI:132040)
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine(1−) (CHEBI:132061) is conjugate base of N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine (CHEBI:132507)
Incoming Relation(s)
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine (CHEBI:132507) is conjugate acid of N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine(1−) (CHEBI:132061)
IUPAC Name 
2-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}ethanesulfonate
Synonyms  Source
N-[12(S)-HPETE]-taurine(1−)SUBMITTER
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-taurine(1−)ChEBI
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]taurine(1−)ChEBI
2-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}ethane-1-sulfonateIUPAC
UniProt Name  Source
N-(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-taurineUniProt
Citations