Terminology Service for NFDI4Health
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N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine

Go to external page http://purl.obolibrary.org/obo/CHEBI_132507

A fatty acid-taurine conjugate derived from N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)]-icosatetraenoic acid.

Term info

Label

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

Synonyms
  • 2-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}ethane-1-sulfonic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}ethane-1-sulfonic acid [ IUPAC ]

charge

0

formula

C22H37NO6S

has obo namespace

chebi_ontology

has related synonym

N-[12(S)-HPETE]-taurine, N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]taurine, N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]-taurine, N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-taurine

id

CHEBI:132507

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)/b9-7-,11-8-,13-10-,17-14+/t21-/m0/s1

inchikey

SSECKXODJGCASI-KUJNIBRASA-N

mass

443.599

monoisotopicmass

443.23416

smiles

C(=C/[C@H](C/C=C\CCCCC)OO)\C=C/C/C=C\CCCC(=O)NCCS(O)(=O)=O