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Identification
NameD-tartaric acid
Accession NumberDB01694  (EXPT03007)
TypeSmall Molecule
GroupsExperimental
DescriptionNot Available
Structure
Thumb
Synonyms
SynonymLanguageCode
(-)-Tartaric acidNot AvailableNot Available
(2S,3S)-Tartaric acidNot AvailableNot Available
(S,S)-Tartaric acidNot AvailableNot Available
(S,S)-TartrateNot AvailableNot Available
D-TartrateNot AvailableNot Available
D-threaric acidNot AvailableNot Available
Levotartaric AcidNot AvailableNot Available
SaltsNot Available
Brand namesNot Available
Brand mixturesNot Available
CategoriesNot Available
CAS number147-71-7
WeightAverage: 150.0868
Monoisotopic: 150.016437924
Chemical FormulaC4H6O6
InChI KeyFEWJPZIEWOKRBE-XIXRPRMCSA-N
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+
IUPAC Name
(2R,3S)-2,3-dihydroxybutanedioic acid
SMILES
O[C@@H]([C@@H](O)C(O)=O)C(O)=O
Mass SpecNot Available
Taxonomy
KingdomOrganic Compounds
SuperclassOrganic Acids and Derivatives
ClassCarboxylic Acids and Derivatives
SubclassDicarboxylic Acids and Derivatives
Direct parentDicarboxylic Acids and Derivatives
Alternative parentsBeta Hydroxy Acids and Derivatives; Alpha Hydroxy Acids and Derivatives; Secondary Alcohols; 1,2-Diols; Enolates; Carboxylic Acids; Polyamines; Aldehydes
Substituents1,2-diol; secondary alcohol; polyol; enolate; carboxylic acid; polyamine; alcohol; aldehyde
Classification descriptionThis compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
Pharmacology
IndicationNot Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
Metabolism
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
ADMET
Predicted ADMET features
Property Value Probability
Human Intestinal Absorption - 0.532
Blood Brain Barrier + 0.8035
Caco-2 permeable - 0.8783
P-glycoprotein substrate Non-substrate 0.7685
P-glycoprotein inhibitor I Non-inhibitor 0.9789
P-glycoprotein inhibitor II Non-inhibitor 0.9739
Renal organic cation transporter Non-inhibitor 0.9633
CYP450 2C9 substrate Non-substrate 0.8684
CYP450 2D6 substrate Non-substrate 0.9168
CYP450 3A4 substrate Non-substrate 0.7763
CYP450 1A2 substrate Non-inhibitor 0.9357
CYP450 2C9 substrate Non-inhibitor 0.9071
CYP450 2D6 substrate Non-inhibitor 0.9544
CYP450 2C19 substrate Non-inhibitor 0.9695
CYP450 3A4 substrate Non-inhibitor 0.8884
CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9877
Ames test Non AMES toxic 0.9289
Carcinogenicity Non-carcinogens 0.6841
Biodegradation Ready biodegradable 0.9397
Rat acute toxicity 1.4627 LD50, mol/kg Not applicable
hERG inhibition (predictor I) Weak inhibitor 0.9914
hERG inhibition (predictor II) Non-inhibitor 0.9749
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
Statesolid
Experimental Properties
PropertyValueSource
melting point172.5 °CPhysProp
water solubility1E+006 mg/L (at 25 °C)YALKOWSKY,SH & DANNENFELSER,RM (1992)
Predicted Properties
PropertyValueSource
Water Solubility161.0ALOGPS
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 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity26.21 m3·mol-1ChemAxon
Polarizability11.69 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
References
Synthesis Reference

Eiji Sato, Akira Yanai, “Method for preparing d-tartaric acid.” U.S. Patent US3957579, issued February, 1961.

US3957579
General ReferenceNot Available
External Links
ResourceLink
KEGG CompoundC02107
PubChem Compound447315
PubChem Substance46508249
ChemSpider852
ChEBI15672
ChEMBL
HETTAR
WikipediaTartaric_acid
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available

Targets

1. 2,3-diketo-L-gulonate reductase

Kind: protein

Organism: Escherichia coli (strain K12)

Pharmacological action: unknown

Components

Name UniProt ID Details
2,3-diketo-L-gulonate reductase P37672 Details

References:

  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

2. Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 1

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 1 Q9P2W7 Details

References:

  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

3. Triggering receptor expressed on myeloid cells 1

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Triggering receptor expressed on myeloid cells 1 Q9NP99 Details

References:

  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

4. Probable ATP-dependent RNA helicase DDX6

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Probable ATP-dependent RNA helicase DDX6 P26196 Details

5. Cytochrome P450

Kind: protein

Organism: Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039)

Pharmacological action: unknown

Components

Name UniProt ID Details
Cytochrome P450 Q746J6 Details

6. Hypoxia-inducible factor 1-alpha inhibitor

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Hypoxia-inducible factor 1-alpha inhibitor Q9NWT6 Details

7. D-3-phosphoglycerate dehydrogenase

Kind: protein

Organism: Mycobacterium tuberculosis

Pharmacological action: unknown

Components

Name UniProt ID Details
D-3-phosphoglycerate dehydrogenase P0A544 Details

8. Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase

Kind: protein

Organism: Helicobacter pylori (strain ATCC 700392 / 26695)

Pharmacological action: unknown

Components

Name UniProt ID Details
Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase O25927 Details

9. V-type proton ATPase subunit C 1

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
V-type proton ATPase subunit C 1 P21283 Details

References:

  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

10. dTDP-4-dehydrorhamnose 3,5-epimerase

Kind: protein

Organism: Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)

Pharmacological action: unknown

Components

Name UniProt ID Details
dTDP-4-dehydrorhamnose 3,5-epimerase Q9HU21 Details

11. Putative uncharacterized protein

Kind: protein

Organism: Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)

Pharmacological action: unknown

Components

Name UniProt ID Details
Putative uncharacterized protein Q9KVB4 Details

12. Phosphonoacetate hydrolase

Kind: protein

Organism: Pseudomonas fluorescens

Pharmacological action: unknown

Components

Name UniProt ID Details
Phosphonoacetate hydrolase Q51782 Details

13. Putative uncharacterized protein

Kind: protein

Organism: Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)

Pharmacological action: unknown

Components

Name UniProt ID Details
Putative uncharacterized protein Q97NR6 Details
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Drug created on June 13, 2005 07:24 / Updated on September 16, 2013 17:15