Pyruvate

HCID 107735CAS 57-60-3

基本情報

標準SMILES: CC(=O)C(=O)[O-]
InChIKey: LCTONWCANYUPML-UHFFFAOYSA-M
分子式: C3H3O3-
平均分子量: 87.05 g/mol
単同位体質量: 87.00821895

名称と識別子

優先名称: Pyruvate
IUPAC: 2-oxopropanoate

名称と別名

pyruvate2-Oxopropanoate57-60-3HO43T60JMGPropanoic acid, 2-oxo-, ion(1-)CHEBI:15361DTXSID50205604RefChem:871148DTXCID40128095MethylglyoxylatePyruvate ion2-oxopropanoic acid, ion(1-)

名称をさらに表示

2-oxo-Propanoic acidCHEMBL1818862hzlUNII-HO43T60JMGPYRUVIC ACID, ION(1-)LCTONWCANYUPML-UHFFFAOYSA-MBDBM50159792PD162526

データベース識別子

CAS: 57-60-3
PubChem CID: 107735
DTXSID: DTXSID50205604
ChEMBL: CHEMBL1162144
ChEBI: CHEBI:15361
UNII: HO43T60JMG
EC Number: 106-312-4
Nikkaji: J469.720K

物性

構造計算による物性

XLogP: -0.6
極性表面積: 57.2 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 6
形式電荷: -1
複雑度: 78

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)

毒性情報

Exposure RoutesPyruvate is absorbed from the gastrointestinal tract from whence it is transported to the liver via the portal circulation.

Toxicity Summary · 1 件

Pyruvate serves as a biological fuel by being converted to acetyl coenzyme A, which enters the tricarboxylic acid or Krebs cycle where it is metabolized to produce ATP aerobically. Energy can also be obtained anaerobically from pyruvate via its conversion to lactate. Pyruvate injections or perfusions increase contractile function of hearts when metabolizing glucose or fatty acids. This inotropic effect is striking in hearts stunned by ischemia/reperfusion. The inotropic effect of pyruvate requires intracoronary infusion. Among possible mechanisms for this effect are increased generation of ATP and an increase in ATP phosphorylation potential. Another is activation of pyruvate dehydrogenase, promoting its own oxidation by inhibiting pyruvate dehydrogenase kinase. Pyruvate dehydrogenase is inactivated in ischemia myocardium. Yet another is reduction of cytosolic inorganic phosphate concentration. Pyruvate, as an antioxidant, is known to scavenge such reactive oxygen species as hydrogen peroxide and lipid peroxides. Indirectly, supraphysiological levels of pyruvate may increase cellular reduced glutathione.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).