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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:49:07 UTC
HMDB IDHMDB0000956
Secondary Accession Numbers
  • HMDB0059916
  • HMDB00956
  • HMDB59916
Metabolite Identification
Common NameTartaric acid
DescriptionTartaric acid is a white crystalline organic acid. It occurs naturally in many plants, particularly grapes and tamarinds, and is one of the main acids found in wine. It is added to other foods to give a sour taste, and is used as an antioxidant. Salts of tartaric acid are known as tartrates. It is a dihydroxy derivative of dicarboxylic acid. Tartaric acid is a muscle toxin, which works by inhibiting the production of malic acid, and in high doses causes paralysis and death. The minimum recorded fatal dose for a human is about 12 grams. In spite of that, it is included in many foods, especially sour-tasting sweets. As a food additive, tartaric acid is used as an antioxidant with E number E334, tartrates are other additives serving as antioxidants or emulsifiers. Naturally-occurring tartaric acid is chiral, meaning that it has molecules that are non-superimposable on their mirror-images. It is a useful raw material in organic chemistry for the synthesis of other chiral molecules. The naturally occurring form of the acid is L-(+)-tartaric acid or dextrotartaric acid. The mirror-image (enantiomeric) form, levotartaric acid or D-(-)-tartaric acid, and the achiral form, mesotartaric acid, can be made artificially. Tartarate is believed to play a role in inhibiting kidney stone formation. Most tartarate that is consumed by humans is metabolized by bacteria in the gastrointestinal tract -- primarily in the large instestine. Only about 15-20% of consumed tartaric acid is secreted in the urine unchanged. Tartaric acid is a biomarker for the consumption of wine and grapes (PMID:24507823 ). Tartaric acid is also a fungal metabolite, elevated levels in the urine (especially in children) may be due to the presence of yeast (in the gut or bladder). It can be produced by Agrobacterium, Nocardia, Rhizobium, Saccharomyces as well (PMID:7628083 ) (https://link.springer.com/article/10.1023/A:1005592104426). High levels of tartaric acid have been found in autistic children. In adults, tartaric acid may be due to the consumption of wine (https://www.greatplainslaboratory.com/articles-1/2015/11/13/candida-and-overgrowth-the-problem-bacteria-by-products) (PMID:15738524 ; PMID:24507823 ; PMID:7628083 ).
Structure
Data?1582752167
Synonyms
ValueSource
(+)-(R,R)-Tartaric acidChEBI
(+)-L-Tartaric acidChEBI
(+)-Tartaric acidChEBI
(+)-WeinsaeureChEBI
(2R,3R)-2,3-DihydroxybernsteinsaeureChEBI
(2R,3R)-2,3-Dihydroxysuccinic acidChEBI
(2R,3R)-Tartaric acidChEBI
(R,R)-(+)-Tartaric acidChEBI
(R,R)-Tartaric acidChEBI
L(+)-TARTARIC ACIDChEBI
L-Threaric acidChEBI
RechtsweinsaeureChEBI
WeinsteinsaeureChEBI
(R,R)-TartrateKegg
L-Tartaric acidKegg
TartrateKegg
2,3-Dihydroxybutanedioic acidKegg
(+)-(R,R)-TartarateGenerator
(+)-L-TartarateGenerator
(+)-TartarateGenerator
(2R,3R)-2,3-DihydroxysuccinateGenerator
(2R,3R)-TartarateGenerator
(R,R)-(+)-TartarateGenerator
(R,R)-TartarateGenerator
L(+)-TARTARateGenerator
L-ThrearateGenerator
(R,R)-Tartric acidGenerator
L-TartarateGenerator
Tartric acidGenerator
2,3-DihydroxybutanedioateGenerator
TartarateGenerator
Aluminum tartrateHMDB
Ammonium tartrateHMDB
Potassium tartrateHMDB
Seignette saltHMDB
Sodium ammonium tartrateHMDB
Stannous tartrateHMDB
Tartaric acid, calcium salt, (R-r*,r*)-isomerHMDB
Calcium tartrate tetrahydrateHMDB
Sodium tartrateHMDB
Tartaric acid, ((r*,r*)-(+-))-isomerHMDB
Tartaric acid, monoammonium salt, (R-(r*,r*))-isomerHMDB
(R*,r*)-(+-)-2,3-dihydroxybutanedioic acid, monoammonium monosodium saltHMDB
MN(III) tartrateHMDB
Calcium tartrateHMDB
Tartaric acid, (R-(r*,r*))-isomerHMDB
Sodium potassium tartrateHMDB
Tartaric acid, (r*,s*)-isomerHMDB
Tartaric acid, (S-(r*,r*))-isomerHMDB
Tartaric acid, ammonium sodium salt, (1:1:1) salt, (r*,r*)-(+-)-isomerHMDB
(+)-(2R,3R)-Tartaric acidHMDB
(1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acidHMDB
(2R,3R)-2,3-DihydroxybutanedioateHMDB
(2R,3R)-2,3-Dihydroxybutanedioic acidHMDB
(2R,3R)-2,3-Tartaric acidHMDB
1,2-Dihydroxyethane-1,2-dicarboxylic acidHMDB
2,3-Dihydroxy-succinateHMDB
2,3-Dihydroxy-succinic acidHMDB
2,3-Dihydroxysuccinic acidHMDB
D-a,b-Dihydroxysuccinic acidHMDB
D-Tartaric acidHMDB
Dextrotartaric acidHMDB
L-(+)-Tartaric acidHMDB
Natural tartaric acidHMDB
TARHMDB
Threaric acidHMDB
TLAHMDB
WeinsaeureHMDB
(2R,3R)-(+)-Tartaric acidHMDB
Dihydroxysuccinic acidHMDB
Tartaric acidHMDB
Chemical FormulaC4H6O6
Average Molecular Weight150.0868
Monoisotopic Molecular Weight150.016437924
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid
Traditional NameL(+)-tartaric acid
CAS Registry Number87-69-4
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 KeyFEWJPZIEWOKRBE-JCYAYHJZSA-N
Chemical 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.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar acids and derivatives
Alternative Parents
Substituents
  • Sugar acid
  • Short-chain hydroxy acid
  • Beta-hydroxy acid
  • Fatty acid
  • Monosaccharide
  • Hydroxy acid
  • Dicarboxylic acid or derivatives
  • Alpha-hydroxy acid
  • Secondary alcohol
  • 1,2-diol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxide
  • Hydrocarbon derivative
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point169 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility582 mg/mL at 20 °CNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility161 g/LALOGPS
logP-1.3ALOGPS
logP-1.8ChemAxon
logS0.03ALOGPS
pKa (Strongest Acidic)2.72ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area115.06 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity26.21 m³·mol⁻¹ChemAxon
Polarizability11.33 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+125.09730932474
DeepCCS[M-H]-122.4230932474
DeepCCS[M-2H]-158.39830932474
DeepCCS[M+Na]+133.79630932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Tartaric acidO[C@H]([C@@H](O)C(O)=O)C(O)=O2468.8Standard polar33892256
Tartaric acidO[C@H]([C@@H](O)C(O)=O)C(O)=O1229.6Standard non polar33892256
Tartaric acidO[C@H]([C@@H](O)C(O)=O)C(O)=O1414.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Tartaric acid,1TMS,isomer #1C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)C(=O)O1393.8Semi standard non polar33892256
Tartaric acid,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)C(=O)O1372.7Semi standard non polar33892256
Tartaric acid,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O1459.4Semi standard non polar33892256
Tartaric acid,2TMS,isomer #2C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C)C(=O)O1490.2Semi standard non polar33892256
Tartaric acid,2TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O1471.2Semi standard non polar33892256
Tartaric acid,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C1461.5Semi standard non polar33892256
Tartaric acid,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O1549.0Semi standard non polar33892256
Tartaric acid,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1567.0Semi standard non polar33892256
Tartaric acid,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1665.8Semi standard non polar33892256
Tartaric acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)C(=O)O1670.2Semi standard non polar33892256
Tartaric acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)C(=O)O1648.3Semi standard non polar33892256
Tartaric acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O1926.6Semi standard non polar33892256
Tartaric acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O1947.7Semi standard non polar33892256
Tartaric acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O1944.5Semi standard non polar33892256
Tartaric acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C1914.7Semi standard non polar33892256
Tartaric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2219.8Semi standard non polar33892256
Tartaric acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2201.9Semi standard non polar33892256
Tartaric acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2425.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Tartaric acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-0002-0930000000-19235937e21066a9c4842014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Tartaric acid GC-MS (4 TMS)splash10-000f-0961000000-559c31b016f4fb3700d22014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Tartaric acid EI-B (Non-derivatized)splash10-0007-0961000000-1b17d674621eb9d88c3c2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Tartaric acid GC-EI-TOF (Non-derivatized)splash10-0002-0930000000-19235937e21066a9c4842017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Tartaric acid GC-MS (Non-derivatized)splash10-000f-0961000000-559c31b016f4fb3700d22017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0096-9200000000-df0ce9fba754b55674b12017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TMS_4_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TBDMS_3_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TBDMS_3_2) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tartaric acid GC-MS (TBDMS_4_1) - 70eV, PositiveNot Available2021-11-06Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-056r-9000000000-16517a02beb9427ceaff2019-05-16Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid Quattro_QQQ 10V, Negative-QTOF (Annotated)splash10-000b-7900000000-d247ec12b77f427e9a762012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid Quattro_QQQ 25V, Negative-QTOF (Annotated)splash10-05fu-9000000000-4bf01ad116d24a4538172012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid Quattro_QQQ 40V, Negative-QTOF (Annotated)splash10-0006-9000000000-4da65da10f3a34f776882012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOFsplash10-0002-0900000000-ecb902731b9f6eb3764d2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOFsplash10-0072-9700000000-1e8e6f410c1d71af856e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOFsplash10-00di-9000000000-f13ad2560d3e6818db9c2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOFsplash10-05fu-9000000000-f46a01eb933ba6fbceac2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOFsplash10-0006-9000000000-08dec35ca6a80add253a2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid LC-ESI-QQ , negative-QTOFsplash10-0002-0900000000-ecb902731b9f6eb3764d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid LC-ESI-QQ , negative-QTOFsplash10-0072-9700000000-1e8e6f410c1d71af856e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid LC-ESI-QQ , negative-QTOFsplash10-00di-9000000000-f13ad2560d3e6818db9c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid LC-ESI-QQ , negative-QTOFsplash10-05fu-9000000000-f46a01eb933ba6fbceac2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid LC-ESI-QQ , negative-QTOFsplash10-0006-9000000000-08dec35ca6a80add253a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid 20V, Negative-QTOFsplash10-05fu-9000000000-2bc9b64b80733677dbe62021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid 40V, Negative-QTOFsplash10-0006-9000000000-e65d82322cd0037aa7332021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid 35V, Negative-QTOFsplash10-0072-9600000000-0276f4093011ce886f642021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tartaric acid 10V, Negative-QTOFsplash10-007a-9300000000-5ad0de9efcf7b25ff3dc2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tartaric acid 10V, Positive-QTOFsplash10-0ue9-1900000000-6a73140cfa5a0c0234e32017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tartaric acid 20V, Positive-QTOFsplash10-056r-9600000000-ca8758d1e65f5dbe35d92017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tartaric acid 40V, Positive-QTOFsplash10-0a70-9100000000-1630b812321816f95d112017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tartaric acid 10V, Negative-QTOFsplash10-05bb-7900000000-146a1c7b189a7bbacda02017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tartaric acid 20V, Negative-QTOFsplash10-0a4i-9500000000-f7af07684007cf14bdce2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tartaric acid 40V, Negative-QTOFsplash10-0a4i-9000000000-a8f5502da9e4d13e41442017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tartaric acid 10V, Negative-QTOFsplash10-0a4s-4900000000-4b81a8a41abed679d1342021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tartaric acid 20V, Negative-QTOFsplash10-0a4i-9200000000-b73e0df104053da762682021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue Locations
  • Adipose Tissue
  • Platelet
  • Prostate
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified0-60 umol/mmol creatinineNewborn (0-30 days old)Both
Normal
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified38.183 +/- 53.107 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
details
UrineDetected and Quantified12 (1.3-46) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified11.8 (2.6-64.4) umol/mmol creatinineAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Cardiosvacular risk
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Diabetes mellitus
details
UrineDetected and Quantified5 (0-25) umol/mmol creatinineNot SpecifiedBothLung cancer details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAutosomal dominant polycystic kidney disease (ADPKD) details
UrineDetected and Quantified13.217 +/- 13.438 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer details
Associated Disorders and Diseases
Disease References
Lung Cancer
  1. Stretch C, Eastman T, Mandal R, Eisner R, Wishart DS, Mourtzakis M, Prado CM, Damaraju S, Ball RO, Greiner R, Baracos VE: Prediction of skeletal muscle and fat mass in patients with advanced cancer using a metabolomic approach. J Nutr. 2012 Jan;142(1):14-21. doi: 10.3945/jn.111.147751. Epub 2011 Dec 7. [PubMed:22157537 ]
Associated OMIM IDs
DrugBank IDDB09459
Phenol Explorer Compound IDNot Available
FooDB IDFDB001113
KNApSAcK IDC00001206
Chemspider IDNot Available
KEGG Compound IDC00898
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTartaric acid
METLIN IDNot Available
PubChem Compound444305
PDB IDNot Available
ChEBI ID15671
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000290
Good Scents IDNot Available
References
Synthesis ReferenceMilas, N. A.; Terry, Ethel M. Oxidation of fumaric and of maleic acids to tartaric acid. Journal of the American Chemical Society (1925), 47 1412-8.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
  2. Petrarulo M, Marangella M, Bianco O, Linari F: Ion-chromatographic determination of L-tartrate in urine samples. Clin Chem. 1991 Jan;37(1):90-3. [PubMed:1988215 ]
  3. Lord RS, Burdette CK, Bralley JA: Significance of urinary tartaric acid. Clin Chem. 2005 Mar;51(3):672-3. [PubMed:15738524 ]
  4. Shaw W, Kassen E, Chaves E: Increased urinary excretion of analogs of Krebs cycle metabolites and arabinose in two brothers with autistic features. Clin Chem. 1995 Aug;41(8 Pt 1):1094-104. [PubMed:7628083 ]
  5. Regueiro J, Vallverdu-Queralt A, Simal-Gandara J, Estruch R, Lamuela-Raventos RM: Urinary tartaric acid as a potential biomarker for the dietary assessment of moderate wine consumption: a randomised controlled trial. Br J Nutr. 2014 May;111(9):1680-5. doi: 10.1017/S0007114513004108. Epub 2014 Feb 10. [PubMed:24507823 ]

Enzymes

General function:
Involved in hydrolase activity
Specific function:
Involved in osteopontin/bone sialoprotein dephosphorylation. Its expression seems to increase in certain pathological states such as Gaucher and Hodgkin diseases, the hairy cell, the B-cell, and the T-cell leukemias.
Gene Name:
ACP5
Uniprot ID:
P13686
Molecular weight:
36598.47
General function:
Involved in acid phosphatase activity
Specific function:
A non-specific tyrosine phosphatase that dephosphorylates a diverse number of substrates under acidic conditions (pH 4-6) including alkyl, aryl, and acyl orthophosphate monoesters and phosphorylated proteins. Has lipid phosphatase activity and inactivates lysophosphatidic acid in seminal plasma. Isoform 2: the cellular form also has ecto-5'-nucleotidase activity in dorsal root ganglion (DRG) neurons. Generates adenosine from AMP which acts as a pain suppressor. Acts as a tumor suppressor of prostate cancer through dephosphorylation of ERBB2 and deactivation of MAPK-mediated signaling.
Gene Name:
ACPP
Uniprot ID:
P15309
Molecular weight:
44565.715
General function:
Involved in acid phosphatase activity
Specific function:
Hydrolyzes lysophosphatidic acid to monoacylglycerol.
Gene Name:
ACP6
Uniprot ID:
Q9NPH0
Molecular weight:
48853.955
General function:
Involved in acid phosphatase activity
Specific function:
Dephosphorylates receptor tyrosine-protein kinase erbB-4 and inhibits the ligand-induced proteolytic cleavage.
Gene Name:
ACPT
Uniprot ID:
Q9BZG2
Molecular weight:
46089.015
General function:
Involved in protein tyrosine phosphatase activity
Specific function:
Not Available
Gene Name:
ACP1
Uniprot ID:
B5MCC7
Molecular weight:
12230.0