Bovine Metabolome Database: Showing metabocard for Tartaric acid (BMDB0063654)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2020-02-10 19:45:12 UTC

Update Date

2020-05-11 22:39:31 UTC

BMDB ID

BMDB0063654

Secondary Accession Numbers

BMDB63654

Metabolite Identification

Common Name

Tartaric acid

Description

Tartaric acid, also known as (R,R)-tartrate or L-threaric acid, 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. Tartaric acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Tartaric acid exists in all living organisms, ranging from bacteria to humans. Tartaric acid is a potentially toxic compound.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(+)-(R,R)-Tartaric acid	ChEBI
(+)-L-Tartaric acid	ChEBI
(+)-Tartaric acid	ChEBI
(+)-Weinsaeure	ChEBI
(2R,3R)-2,3-Dihydroxybernsteinsaeure	ChEBI
(2R,3R)-2,3-Dihydroxysuccinic acid	ChEBI
(2R,3R)-Tartaric acid	ChEBI
(R,R)-(+)-Tartaric acid	ChEBI
(R,R)-Tartaric acid	ChEBI
L(+)-TARTARIC ACID	ChEBI
L-Threaric acid	ChEBI
Rechtsweinsaeure	ChEBI
Weinsteinsaeure	ChEBI
(R,R)-Tartrate	Kegg
L-Tartaric acid	Kegg
Tartrate	Kegg
2,3-Dihydroxybutanedioic acid	Kegg
(+)-(R,R)-Tartarate	Generator
(+)-L-Tartarate	Generator
(+)-Tartarate	Generator
(2R,3R)-2,3-Dihydroxysuccinate	Generator
(2R,3R)-Tartarate	Generator
(R,R)-(+)-Tartarate	Generator
(R,R)-Tartarate	Generator
L(+)-TARTARate	Generator
L-Threarate	Generator
(R,R)-Tartric acid	Generator
L-Tartarate	Generator
Tartric acid	Generator
2,3-Dihydroxybutanedioate	Generator
Tartarate	Generator
Aluminum tartrate	HMDB
Ammonium tartrate	HMDB
Potassium tartrate	HMDB
Seignette salt	HMDB
Sodium ammonium tartrate	HMDB
Stannous tartrate	HMDB
Tartaric acid, calcium salt, (R-r,r)-isomer	HMDB
Calcium tartrate tetrahydrate	HMDB
Sodium tartrate	HMDB
Tartaric acid, ((r,r)-(+-))-isomer	HMDB
Tartaric acid, monoammonium salt, (R-(r,r))-isomer	HMDB
(R,r)-(+-)-2,3-dihydroxybutanedioic acid, monoammonium monosodium salt	HMDB
MN(III) tartrate	HMDB
Calcium tartrate	HMDB
Tartaric acid, (R-(r,r))-isomer	HMDB
Sodium potassium tartrate	HMDB
Tartaric acid, (r,s)-isomer	HMDB
Tartaric acid, (S-(r,r))-isomer	HMDB
Tartaric acid, ammonium sodium salt, (1:1:1) salt, (r,r)-(+-)-isomer	HMDB
(+)-(2R,3R)-Tartaric acid	HMDB
(1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid	HMDB
(2R,3R)-2,3-Dihydroxybutanedioate	HMDB
(2R,3R)-2,3-Dihydroxybutanedioic acid	HMDB
(2R,3R)-2,3-Tartaric acid	HMDB
1,2-Dihydroxyethane-1,2-dicarboxylic acid	HMDB
2,3-Dihydroxy-succinate	HMDB
2,3-Dihydroxy-succinic acid	HMDB
2,3-Dihydroxysuccinic acid	HMDB
D-a,b-Dihydroxysuccinic acid	HMDB
D-Tartaric acid	HMDB
Dextrotartaric acid	HMDB
L-(+)-Tartaric acid	HMDB
Natural tartaric acid	HMDB
TAR	HMDB
Threaric acid	HMDB
TLA	HMDB
Weinsaeure	HMDB
(2R,3R)-(+)-Tartaric acid	HMDB
Dihydroxysuccinic acid	HMDB
Tartaric acid	HMDB

Chemical Formula

C₄H₆O₆

Average Molecular Weight

150.0868

Monoisotopic Molecular Weight

150.016437924

IUPAC Name

(2R,3R)-2,3-dihydroxybutanedioic acid

Traditional Name

L(+)-tartaric acid

CAS Registry Number

Not Available

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

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.

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

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 Framework

Aliphatic acyclic compounds

External Descriptors

tartaric acid (CHEBI:15671 )

Ontology

Status

Detected but not Quantified

Origin

Exogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Cytoplasm

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-1.3	ALOGPS
logP	-1.8	ChemAxon
logS	0.03	ALOGPS
pKa (Strongest Acidic)	2.72	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	115.06 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	26.21 m³·mol⁻¹	ChemAxon
Polarizability	11.33 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Adipose Tissue
Platelet
Prostate Tissue
Ruminal Fluid

Pathways

Not Available

Name	SMPDB/Pathwhiz	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Adipose Tissue	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Platelet	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Prostate Tissue	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	Not Applicable	details
Ruminal Fluid	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	PMID: 25599412	details