CHEBI:84415 - acetyltaurine

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ChEBI Name acetyltaurine ChEBI ID CHEBI:84415 Definition An amino sulfonic acid that is taurine substituted by an acetyl group at the N atom. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB51368283 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C4H9NO4S Net Charge 0 Average Mass 167.185 Monoisotopic Mass 167.02523 InChI InChI=1S/C4H9NO4S/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H,7,8,9) InChIKey CXJAAWRLVGAKDV-UHFFFAOYSA-N SMILES C(CS(O)(=O)=O)NC(C)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: MetaboLights Study Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. View more via ChEBI Ontology ChEBI Ontology Outgoing acetyltaurine (CHEBI:84415) has functional parent taurine (CHEBI:15891) acetyltaurine (CHEBI:84415) has role human blood serum metabolite (CHEBI:85234) acetyltaurine (CHEBI:84415) has role human urinary metabolite (CHEBI:84087) acetyltaurine (CHEBI:84415) is a acetamides (CHEBI:22160) acetyltaurine (CHEBI:84415) is a organosulfonic acid (CHEBI:33551) acetyltaurine (CHEBI:84415) is conjugate acid of acetyltaurine(1−) (CHEBI:133737) Incoming acetyltaurine(1−) (CHEBI:133737) is conjugate base of acetyltaurine (CHEBI:84415) IUPAC Name 2-(acetylamino)ethanesulfonic acid Synonyms Sources 2-acetamidoethanesulfonic acid ChEBI N-Acetyltaurine ChemIDplus Registry Numbers Types Sources 1771406 Reaxys Registry Number Reaxys 19213-70-8 CAS Registry Number ChemIDplus Citations Last Modified 14 October 2016