CHEBI:66030 - 7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one

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ChEBI Name 7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one
ChEBI ID CHEBI:66030
ChEBI ASCII Name 7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one
Definition A benzothiazine that is 2H-1,4-benzothiazin-3(4H)-one substituted by a hydroxy and a hydroxymethyl group at positions 7 and 5 respectively. It is an antibacterial agent from Ampelomyces.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H9NO3S
Net Charge 0
Average Mass 211.23800
Monoisotopic Mass 211.03031
InChI InChI=1S/C9H9NO3S/c11-3-5-1-6(12)2-7-9(5)10-8(13)4-14-7/h1-2,11-12H,3-4H2,(H,10,13)
InChIKey CZXYFHNORNVRJZ-UHFFFAOYSA-N
SMILES OCc1cc(O)cc2SCC(=O)Nc12
Metabolite of Species Details
Ampelomyces (NCBI:txid50729) of strain SC0307 See: PubMed
Roles Classification
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via benzothiazine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) has role antibacterial agent (CHEBI:33282)
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) has role metabolite (CHEBI:25212)
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) is a benzothiazine (CHEBI:46899)
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) is a benzyl alcohols (CHEBI:22743)
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) is a lactam (CHEBI:24995)
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one (CHEBI:66030) is a phenols (CHEBI:33853)
IUPAC Name
7-hydroxy-5-(hydroxymethyl)-2H-1,4-benzothiazin-3(4H)-one
Registry Number Type Source
18590033 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18603789 PubMed citation Europe PMC
Last Modified
25 September 2012