Mono-hydroxy-isobutyl phthalate (OH-MiBP) (Compound)
Go to Compound classificationID | 1506 |
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Name | Mono-hydroxy-isobutyl phthalate (OH-MiBP) |
Synonyms | Hydroxy-mono-isobutyl phthalate; Mono-2-hydroxy-isobutyl phthalate; 2-OH-MiBP; Monohydroxyisobutyl phthalate; MHiBP |
Structure | |
Description | Metabolite of mono-isobutyl phthalate (MiBP); secondary metabolite of di-isobutyl phthalate (DiBP). Structure for 2-OH is represented. |
Classification | Compounds > Chemical entities > Organic compounds > Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
CAS number | 64339-39-5 |
PubChem ID | 71371900 |
ChEBI ID | |
FooDB ID | |
HMDB ID |
Chemical data
MolDBi data
IUPAC Name | 2-[(2-hydroxy-2-methylpropoxy)carbonyl]benzoic acid |
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Traditional IUPAC Name | 2-[(2-hydroxy-2-methylpropoxy)carbonyl]benzoic acid |
Formula | C12H14O5 |
InChI | InChI=1S/C12H14O5/c1-12(2,16)7-17-11(15)9-6-4-3-5-8(9)10(13)14/h3-6,16H,7H2,1-2H3,(H,13,14) |
InChI Key | LTLINVWNJJAVGH-UHFFFAOYSA-N |
Molecular weight | 238.239 |
Exact mass | 238.084123551 |
SMILES | CC(C)(O)COC(=O)C1=CC=CC=C1C(O)=O |
ClassyFire Taxonomy
Description | belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
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Kingdom | Organic compounds |
Super Class | Benzenoids |
Class | Benzene and substituted derivatives |
Sub Class | Benzoic acids and derivatives |
Direct Parent | Benzoic acid esters |
Alternative Parents |
Publications with Mono-hydroxy-isobutyl phthalate (OH-MiBP)
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 Mono-hydroxy-isobutyl phthalate (OH-MiBP) 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 Mono-hydroxy-isobutyl phthalate (OH-MiBP) 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 Mono-hydroxy-isobutyl phthalate (OH-MiBP) 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 Mono-hydroxy-isobutyl phthalate (OH-MiBP) 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 Mono-hydroxy-isobutyl phthalate (OH-MiBP) 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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