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CHEBI:132507 - N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine

ChEBI IDCHEBI:132507
ChEBI NameN-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine
Stars
ASCII NameN-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine
DefinitionA fatty acid-taurine conjugate derived from N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)]-icosatetraenoic acid.
Last Modified11 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC22H37NO6S
Net Charge0
Average Mass443.606
Monoisotopic Mass443.23416
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)/b9-7-,11-8-,13-10-,17-14+/t21-/m0/s1
InChIKeySSECKXODJGCASI-KUJNIBRASA-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-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine (CHEBI:132507) has functional parent (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447)
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine (CHEBI:132507) has role mouse metabolite (CHEBI:75771)
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine (CHEBI:132507) is a fatty acid-taurine conjugate (CHEBI:132474)
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)
Incoming Relation(s)
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)
IUPAC Name 
2-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}ethane-1-sulfonic acid
Synonyms  Source
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-taurineChEBI
N-[12(S)-HPETE]-taurineChEBI
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]-taurineChEBI
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]taurineChEBI
Citations