Tartaric acid (Compound)

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ID	1620
Name	Tartaric acid
Synonyms	L-Tartaric acid; L-(+)-Tartaric acid; L-(R,R)-(+)-Tartaric acid; Threaric acid
Structure	MOL SDF PDB SMILES InChI Structure for EE001620 (Tartaric acid) 3D Structure for EE001620 (Tartaric acid) Mrv1652302102020382D 10 9 0 0 0 0 999 V2000 9993.2233 9993.3504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9993.9374 9993.7625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9994.6531 9993.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9995.3686 9993.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9994.6531 9992.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9993.9374 9994.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9992.5086 9993.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9991.7936 9993.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9992.5086 9994.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9993.2233 9992.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 10 1 1 0 0 0 2 3 1 0 0 0 0 2 6 1 1 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 M END > <DATABASE_ID> EE001620 > <DATABASE_NAME> ExposomeExplorer > <SMILES> O[C@H]([C@@H](O)C(O)=O)C(O)=O > <INCHI_IDENTIFIER> InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 > <INCHI_KEY> FEWJPZIEWOKRBE-JCYAYHJZSA-N > <FORMULA> C4H6O6 > <MOLECULAR_WEIGHT> 150.0868 > <EXACT_MASS> 150.016437924 > <JCHEM_ACCEPTOR_COUNT> 6 > <JCHEM_ATOM_COUNT> 16 > <JCHEM_AVERAGE_POLARIZABILITY> 11.327063324959603 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 4 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2R,3R)-2,3-dihydroxybutanedioic acid > <ALOGPS_LOGP> -1.27 > <JCHEM_LOGP> -1.8287998886666665 > <ALOGPS_LOGS> 0.03 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> -2 > <JCHEM_PKA> 4.792876457889947 > <JCHEM_PKA_STRONGEST_ACIDIC> 2.719041003817166 > <JCHEM_PKA_STRONGEST_BASIC> -4.330574673439462 > <JCHEM_POLAR_SURFACE_AREA> 115.06 > <JCHEM_REFRACTIVITY> 26.2134 > <JCHEM_ROTATABLE_BOND_COUNT> 3 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 1.61e+02 g/l > <JCHEM_TRADITIONAL_IUPAC> L(+)-tartaric acid > <JCHEM_VEBER_RULE> 0 $$$$
Description	Tartaric acid is chiral. The naturally occurring form of the acid is dextrotartaric acid or L-(+)-tartaric acid.
Classification	Compounds > Chemical entities > Organic compounds > Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar acids and derivatives
CAS number	87-69-4
PubChem ID	444305
ChEBI ID	15671
FooDB ID	FDB001113
HMDB ID	HMDB0000956

Chemical data

MolDBi data

IUPAC Name	(2R,3R)-2,3-dihydroxybutanedioic acid
Traditional IUPAC Name	L(+)-tartaric acid
Formula	C4H6O6
InChI	InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
InChI Key	FEWJPZIEWOKRBE-LWMBPPNESA-N
Molecular weight	150.0868
Exact mass	150.016437924
SMILES	O[C@@H]([C@H](O)C(O)=O)C(O)=O

ClassyFire Taxonomy

Description	belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.
Kingdom	Organic compounds
Super Class	Organic oxygen compounds
Class	Organooxygen compounds
Sub Class	Carbohydrates and carbohydrate conjugates
Direct Parent	Sugar acids and derivatives
Alternative Parents	Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Secondary alcohols 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds

Publications with Tartaric acid

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

Biomarker data

Measurements of Tartaric acid 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

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

Associations of Tartaric acid 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

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

Microbiota associations

ID	Biomarker	Experimental evidence	Organism	Biospecimen	Antibiotic	Bacterial source	Substrate	Publication

Associations of Tartaric acid 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

Exposure data

Measurements of Tartaric acid 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

Associations of Tartaric acid 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