CHEBI:143237 - 2-O-sulfate-4-hydroxyacetophenone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-O-sulfate-4-hydroxyacetophenone ChEBI ID CHEBI:143237 ChEBI ASCII Name 2-O-sulfate-4-hydroxyacetophenone Definition An acetophenone substituted by a sulfooxy group at position 2 and by a hydroxy group at position 4. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H8O6S Net Charge 0 Average Mass 232.210 Monoisotopic Mass 232.00416 InChI InChI=1S/C8H8O6S/c1-5(9)7-3-2-6(10)4-8(7)14-15(11,12)13/h2-4,10H,1H3,(H,11,12,13) InChIKey COXWPCPYWFBNJH-UHFFFAOYSA-N SMILES O(C1=C(C=CC(O)=C1)C(=O)C)S(O)(=O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) Found in blood serum (BTO:0000133). of strain C57BL/6J See: MetaboLights Study Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 2-O-sulfate-4-hydroxyacetophenone (CHEBI:143237) has role mouse metabolite (CHEBI:75771) 2-O-sulfate-4-hydroxyacetophenone (CHEBI:143237) is a acetophenones (CHEBI:22187) 2-O-sulfate-4-hydroxyacetophenone (CHEBI:143237) is a aryl sulfate (CHEBI:37919) 2-O-sulfate-4-hydroxyacetophenone (CHEBI:143237) is a phenols (CHEBI:33853) IUPAC Name 2-acetyl-5-hydroxyphenyl hydrogen sulfate Synonym Source 2,4-dihydroxyacetophenone 5-sulfate Note: (2019-08-08) Name not recommended since it is wrong and does not match structure, but widely used by other databases. ChEBI Manual Xrefs Databases 10657183 Pubchem accession FDB029801 FooDB HMDB0041646 HMDB View more database links Last Modified 08 August 2019