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

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ChEBI Name N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine(1−)
ChEBI ID CHEBI:132062
ChEBI ASCII Name N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information
Download Molfile XML SDF
Formula C22H36NO6S
Net Charge -1
Average Mass 442.591
Monoisotopic Mass 442.22688
InChI InChI=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
InChIKey MGJLNRAMOCXZAS-BPVVGZHASA-M
SMILES C(CCC)C[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(NCCS([O-])(=O)=O)=O)OO
ChEBI Ontology
Outgoing 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 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 Sources
N-(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl-taurine UniProt
N-[15(S)-HPETE]-taurine(1−) SUBMITTER
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]taurine(1−) ChEBI
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-taurine(1−) ChEBI
Citation Waiting for Citations Type Source
18311922 PubMed citation SUBMITTER
Last Modified
11 July 2016