4-Ethylphenyl sulfate (Compound)
Go to Compound classificationID | 1698 |
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Name | 4-Ethylphenyl sulfate |
Synonyms | |
Structure | |
Description | |
Classification | Compounds > Chemical entities > Organic compounds > Organic acids and derivatives > Organic sulfuric acids and derivatives > Arylsulfates > Phenylsulfates |
CAS number | |
PubChem ID | 20822574 |
ChEBI ID | 82932 |
FooDB ID | |
HMDB ID |
Chemical data
MolDBi data
IUPAC Name | (4-ethylphenyl)oxidanesulfonic acid |
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Traditional IUPAC Name | (4-ethylphenyl)oxidanesulfonic acid |
Formula | C8H10O4S |
InChI | InChI=1S/C8H10O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h3-6H,2H2,1H3,(H,9,10,11) |
InChI Key | DWZGLEPNCRFCEP-UHFFFAOYSA-N |
Molecular weight | 202.22 |
Exact mass | 202.029979976 |
SMILES | CCC1=CC=C(OS(O)(=O)=O)C=C1 |
ClassyFire 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. |
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Kingdom | Organic compounds |
Super Class | Organic acids and derivatives |
Class | Organic sulfuric acids and derivatives |
Sub Class | Arylsulfates |
Direct Parent | Phenylsulfates |
Alternative Parents |
Publications with 4-Ethylphenyl sulfate
ID | Title | First author | Authors | Year | Journal | Volume | Issue | Pages | PubMed ID | DOI | Study design | No. of Biomarkers | No. of Intake values | No. of Concentration values | No. of Reproducibility values | No. of Correlation values | No. of Metabolomic associations | No. of Microbiota associations | No. of Cancer associations |
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Biomarker data
Measurements of 4-Ethylphenyl sulfate in biospecimens
Concentration values
ID | Parent ID | Depth | Subject group | Population | Country | Cohort | Biomarker Time definition | Biospecimen | Analytical method | Biomarker | Biomarker detail | Measurement size | Detected (nb) | Detected (%) | Detected only? | Arithmethic mean | Arithmethic SD | Geometric mean | Geometric SD | Min | Min (detected) | Percentile_05 | Percentile_10 | Percentile_25 | Median | Percentile_75 | Percentile_90 | Percentile_95 | Max | Interquartile range | Mean 95% CI lower | Mean 95% CI upper | GMean 95% CI lower | GMean 95% CI upper | Unit | Converted arithmetic mean | Converted geometric mean | Converted median | Converted unit | Adjustment type | Adjusted on | Regressed on | Expressed as | Publication |
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Reproducibility values
ID | Excretion ID | Subject group | Population | Country | Cohort | Biomarker Time definition | Biospecimen | Analytical method | Biomarker | Biomarker detail | Arithmetic mean | Geometric mean | Median | Unit | Adjusted on | Reproducibility size | ICC | ICC 95% CI lower | ICC 95% CI upper | CV% WS | CV% BS | VAR WS | VAR BS | Publication |
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Associations of 4-Ethylphenyl sulfate with exposures
Correlation values
ID | Intake ID | Excretion ID | Subject group | Population | Country | Cohort | Intake Time definition | Intake Assessment method | Intake | Intake detail | Supplement intakes included? | Intake Arithmetic mean | Intake Geometric mean | Intake Median | Intake Unit | Intake Adjusted on | Biomarker Time definition | Biospecimen | Analytical method | Biomarker | Biomarker detail | Biomarker Arithmetic mean | Biomarker Geometric mean | Biomarker Median | Biomarker Unit | Biomarker Adjusted on | Correlation size | Correlation type | Correlation value | Correlation 95% CI lower | Correlation 95% CI upper | Correlation p-value | Significant? | Measurement adjustment | Deattenuated? | Covariates | Publication |
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Metabolomic associations
ID | Intake ID | Excretion ID | Subject group | Population | Country | Cohort | No. of subjects | Intake Assessment method | Intake | Intervention dose | Biospecimen | Analytical method | Biomarker | Structural identification | Feature selection | Area under curve | Sensitivity | Specificity | PLS-DA VIP | Beta coefficient | Beta coefficient p-value | ANOVA p-value | Publication |
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Microbiota associations
ID | Biomarker | Experimental evidence | Organism | Biospecimen | Antibiotic | Bacterial source | Substrate | Publication |
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Associations of 4-Ethylphenyl sulfate with cancer risk
Cancer associations
ID | Excretion ID | Subject group | Population | Country | Cohort | No. of subjects | No. of cases | No. of controls | Biospecimen | Analytical method | Biomarker | Biomarker detail | Cancer | Study design | Publication |
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Exposure data
Measurements of 4-Ethylphenyl sulfate exposures in populations
Intake values
ID | Parent ID | Depth | Subject group | Population | Country | Cohort | Intake Time definition | Intake assessment tool | Intake food coverage | Intake time coverage | Intake Assessment method | Intake | Intake detail | Food description | Supplement intakes included? | Measurement size | Detected (nb) | Detected (%) | Detected only? | Arithmethic mean | Arithmethic SD | Geometric mean | Geometric SD | Min | Min (detected) | Percentile_05 | Percentile_10 | Percentile_25 | Median | Percentile_75 | Percentile_90 | Percentile_95 | Max | Interquartile range | Mean 95% CI lower | Mean 95% CI upper | GMean 95% CI lower | GMean 95% CI upper | Unit | Converted arithmetic mean | Converted geometric mean | Converted median | Converted unit | Adjustment type | Adjusted on | Regressed on | Expressed as | Publication |
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Associations of 4-Ethylphenyl sulfate exposures with biomarkers
Correlation values
ID | Intake ID | Excretion ID | Subject group | Population | Country | Cohort | Intake Time definition | Intake Assessment method | Intake | Intake detail | Supplement intakes included? | Intake Arithmetic mean | Intake Geometric mean | Intake Median | Intake Unit | Intake Adjusted on | Biomarker Time definition | Biospecimen | Analytical method | Biomarker | Biomarker detail | Biomarker Arithmetic mean | Biomarker Geometric mean | Biomarker Median | Biomarker Unit | Biomarker Adjusted on | Correlation size | Correlation type | Correlation value | Correlation 95% CI lower | Correlation 95% CI upper | Correlation p-value | Significant? | Measurement adjustment | Deattenuated? | Covariates | Publication |
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