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
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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 See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in urine 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 Waiting for Citations Types Sources
22228769 PubMed citation Europe PMC
25833487 PubMed citation Europe PMC
27520321 PubMed citation Europe PMC
Last Modified
14 October 2016