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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine(1−) ChEBI ID CHEBI:132061 ChEBI ASCII Name N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine(1-) Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Lucila Aimo Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H36NO6S Net Charge -1 Average Mass 442.590 Monoisotopic Mass 442.22688 InChI InChI=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 InChIKey SSECKXODJGCASI-KUJNIBRASA-M SMILES C(=C/[C@H](C/C=C\CCCCC)OO)\C=C/C/C=C\CCCC(=O)NCCS([O-])(=O)=O ChEBI Ontology Outgoing 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 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 Sources 2-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}ethane-1-sulfonate IUPAC N-(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-taurine UniProt N-[12(S)-HPETE]-taurine(1−) SUBMITTER N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]taurine(1−) ChEBI N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-taurine(1−) ChEBI Citation Type Source 18311922 PubMed citation SUBMITTER Last Modified 10 March 2020