Record Information Version 1.0 Status Detected and Quantified Creation Date 2020-12-10 18:53:20 UTC Update Date 2022-08-31 06:11:29 UTC MiMeDB ID MMDBc0000713 Metabolite Identification Common Name Methyl-4-hydroxybenzoate sulfate Description Methyl-4-hydroxybenzoate sulfate belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Methyl-4-hydroxybenzoate sulfate has been identified in the human placenta (PMID: 32033212 ). Structure Synonyms Value Source Methyl-4-hydroxybenzoate sulphate Generator Methyl-4-hydroxybenzoic acid sulfuric acid Generator Methyl-4-hydroxybenzoic acid sulphuric acid Generator Methyl-4-hydroxybenzoate O-sulphate HMDB Methyl-4-hydroxybenzoic acid O-sulfuric acid HMDB Methyl-4-hydroxybenzoic acid O-sulphuric acid HMDB Methyl-4-hydroxybenzoate O-sulfate HMDB Methyl-4-hydroxybenzoate monosulfate HMDB Methyl-4-hydroxybenzoate monosulphate HMDB Methyl-4-hydroxybenzoate sulfate ChEBI
Chemical Formula C8 H8 O6 S Average Molecular Weight 232.21 Monoisotopic Molecular Weight 232.004159152 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number Not Available SMILES Not Available InChI Identifier InChI=1S/C8H8O6S/c1-13-8(9)6-2-4-7(5-3-6)14-15(10,11)12/h2-5H,1H3,(H,10,11,12)
InChI Key IBEAHXYYSZWGED-UHFFFAOYSA-N Chemical Taxonomy Description Belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Kingdom Organic compounds Super Class Organic acids and derivatives Class Organic sulfuric acids and derivatives Sub Class Arylsulfates Direct Parent Phenylsulfates Alternative Parents Substituents Phenylsulfate
Benzoate ester
Benzoic acid or derivatives
Phenoxy compound
Benzoyl
Sulfuric acid ester
Sulfate-ester
Sulfuric acid monoester
Monocyclic benzene moiety
Benzenoid
Methyl ester
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxide
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound Molecular Framework Aromatic homomonocyclic compounds External Descriptors Not Available Functional Ontology Not Available Physical Properties State Expected Solid Predicted Properties Not Available Spectra Not Available Biological Properties Cellular Locations Not Available Biospecimen Locations Tissue Locations Associated OMIM IDs 114500 (Colorectal cancer)610247 (Eosinophilic esophagitis)Human Proteins and Enzymes Proteins Human Pathways Pathways Metabolic Reactions Not Available
Health Effects and Bioactivity Health Outcome/Bioactivity Metabolite Response/Effect Related Health Condition Evidence Type Measured in Matrix Data Source Reference
Microbial Sources Kingdom Phylum Total species Hosts and Body Sites Microbial Links Firmicutes 373 Human ; Human Feces; Cattle ; Pig Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction Proteobacteria 174 Human Feces; Human ; Pig Metabolic reconstruction Bacteroidetes 116 Human Feces; Human Metabolic reconstruction Actinobacteria 119 Human Feces; Human Metabolic reconstruction Fusobacteria 19 Human ; Human Feces Metabolic reconstruction Crenarchaeota 1 Human Feces Metabolic reconstruction Euryarchaeota 5 Human ; Human Feces; Cattle Metabolic reconstruction Tenericutes 4 Human Feces Metabolic reconstruction Verrucomicrobia 1 Human Metabolic reconstruction Synergistetes 3 Human Feces Metabolic reconstruction Planctomycetes 1 Human Feces Metabolic reconstruction Spirochaetes 1 Human Feces Metabolic reconstruction Thaumarchaeota 1 Human Feces Metabolic reconstruction Candidatus Melainabacteria 1 Human Feces Metabolic reconstruction
Exposure Sources Source Type Source Sub-type Species Data Source Reference Details
Host Biospecimen and Location Host and Biospecimen Status Mean Std Min Max Units Age Sex Health Condition Data Source Reference Human Placenta Detected but not Quantified Not Specified Not Specified Normal HMDB 34986597 details
External Links HMDB ID HMDB0168668 DrugBank ID Not Available Phenol Explorer Compound ID Not Available FooDB ID Not Available KNApSAcK ID Not Available Chemspider ID 58170412 KEGG Compound ID Not Available BioCyc ID Not Available BiGG ID Not Available Wikipedia Link Not Available METLIN ID Not Available PubChem Compound 122164837 PDB ID Not Available ChEBI ID 133532 Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
