Proline betaine glucuronide (Compound)
Go to Compound classificationID | 1780 |
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Name | Proline betaine glucuronide |
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Structure | |
Description | |
Classification | Compounds > Chemical entities > Organic compounds > Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar acids and derivatives > Glucuronic acid derivatives > Glucuronides > O-glucuronides |
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Chemical data
MolDBi data
IUPAC Name | (2S)-2-({[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-1,1-dimethylpyrrolidin-1-ium |
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Traditional IUPAC Name | (2S)-2-({[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-1,1-dimethylpyrrolidin-1-ium |
Formula | C13H22NO8 |
InChI | InChI=1S/C13H21NO8/c1-14(2)5-3-4-6(14)12(20)22-13-9(17)7(15)8(16)10(21-13)11(18)19/h6-10,13,15-17H,3-5H2,1-2H3/p+1/t6-,7-,8-,9+,10-,13?/m0/s1 |
InChI Key | JWRXNBYFSVYSPO-ONRCFZHMSA-O |
Molecular weight | 320.317 |
Exact mass | 320.133993093 |
SMILES | C[N+]1(C)CCC[C@H]1C(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |
ClassyFire Taxonomy
Description | belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond. |
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Kingdom | Organic compounds |
Super Class | Organic oxygen compounds |
Class | Organooxygen compounds |
Sub Class | Carbohydrates and carbohydrate conjugates |
Direct Parent | O-glucuronides |
Alternative Parents |
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Publications with Proline betaine glucuronide
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 Proline betaine glucuronide 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 Proline betaine glucuronide 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 Proline betaine glucuronide 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 Proline betaine glucuronide 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 Proline betaine glucuronide 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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