Sodium pyruvate (CED0000729)

Record Information

Version

1.0

Creation Date

2016-05-22 04:27:47 UTC

Update Date

2026-04-16 22:17:02 UTC

Accession Number

CHEM017557

Identification

Common Name

Sodium pyruvate

Class

Small Molecule

Description

Sodium pyruvate is an organic compound with the formula C3H3NaO3 and an average molecular weight of 110.04 g/mol. Sodium pyruvate belongs to the alpha-keto acids and derivatives, a subclass of keto acids and derivatives within the organic compounds. Industrially, the substance is utilized as a conditioner and softener. It has been identified in two recorded sources, which include food, food processing and cookware specifically during the preparation of vinegar, as well as electrical and electronic equipment such as antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Natriumpyruvat	ChEBI
Pyruvic acid, sodium salt	ChEBI
Pyruvate, sodium salt	Generator
Sodium pyruvic acid	Generator
Sodium;2-oxopropanoic acid	Generator

Chemical Formula

C₃H₃NaO₃

Average Molecular Mass

110.044 g/mol

Monoisotopic Mass

109.998 g/mol

CAS Registry Number

113-24-6

IUPAC Name

sodium 2-oxopropanoate

Traditional Name

sodium pyruvate

SMILES

[Na+].CC(=O)C([O-])=O

InChI Identifier

InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1

InChI Key

DAEPDZWVDSPTHF-UHFFFAOYSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Keto acids and derivatives

Sub Class

Alpha-keto acids and derivatives

Direct Parent

Alpha-keto acids and derivatives

Alternative Parents

Substituents

Alpha-keto acid
Ketone
Carboxylic acid salt
Organic alkali metal salt
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic sodium salt
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

organic sodium salt (CHEBI:50144 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	296 g/L	ALOGPS
logP	-0.37	ALOGPS
logP	0.066	ChemAxon
logS	0.43	ALOGPS
pKa (Strongest Acidic)	2.93	ChemAxon
pKa (Strongest Basic)	-9.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	57.2 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	28.83 m³·mol⁻¹	ChemAxon
Polarizability	6.92 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9600000000-0968a8ba6e7c59c0de4d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-9100000000-06d801092277b40475f1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004l-9000000000-ca55902aee9aded82879	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0900000000-5c537241c829ea7d1946	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-1900000000-3bb8fa0e48868545ffd1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052f-9400000000-b217c682f7529af0b298	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
8912.0	Log mg/kg	[5000:16000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	0.0778492
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	0.544945
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	13.935
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	5817.13
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	6365.34
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	P77488	Escherichia coli (strain K12)	Predicted (SEA)	20.8636
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	3360.91
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	6787.52
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	7310.35
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	Q4QKG6	Haemophilus influenzae (strain 86-028NP)	Predicted (SEA)	385.509
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	7273.69
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	6592.9
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7468.78
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	7259.6
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	6713.56
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	6164.72
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	7312.61
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	3801.14
Click to view 3D structure	Photosystem II protein D1	P06402	Marchantia polymorpha	Predicted (SEA)	899.626
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	6606.44
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	6354.75
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	6813.68
Click to view 3D structure	Histone lysine demethylase PHF8	Q9UPP1	Humans	Predicted (SEA)	1808.75
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	3379.9
Click to view 3D structure	3-hydroxyanthranilate 3,4-dioxygenase	P46952	Humans	Predicted (SEA)	182.712