基本信息
- 标准SMILES
CC(=O)C(=O)[O-]- InChIKey
LCTONWCANYUPML-UHFFFAOYSA-M- 分子式
- C3H3O3-
- 平均分子量
- 87.05 g/mol
- 单同位素质量
- 87.00821895
名称与标识
- 首选名称
- Pyruvate
- IUPAC
- 2-oxopropanoate
名称与别名
pyruvate2-Oxopropanoate57-60-3HO43T60JMGPropanoic acid, 2-oxo-, ion(1-)CHEBI:15361DTXSID50205604RefChem:871148DTXCID40128095MethylglyoxylatePyruvate ion2-oxopropanoic acid, ion(1-)
展开更多名称
2-oxo-Propanoic acidCHEMBL1818862hzlUNII-HO43T60JMGPYRUVIC ACID, ION(1-)LCTONWCANYUPML-UHFFFAOYSA-MBDBM50159792PD162526
数据库标识
- CAS
57-60-3- PubChem CID
- 107735
- DTXSID
DTXSID50205604- ChEMBL
CHEMBL1162144- ChEBI
CHEBI:15361- UNII
- HO43T60JMG
- EC Number
- 106-312-4
- Nikkaji
- J469.720K
性质
结构计算性质
- XLogP
- -0.6
- 极性表面积
- 57.2 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 6
- 形式电荷
- -1
- 复杂度
- 78
安全与法规
GHS分类
GHS Classification
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.
危害信息
Hazard Classes and CategoriesSkin Corr. 1B (100%)
毒理信息
Exposure RoutesPyruvate is absorbed from the gastrointestinal tract from whence it is transported to the liver via the portal circulation.
Toxicity Summary
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).
化学与工业
药理信息
Metabolism/MetabolitesIn the liver, pyruvate is metabolized via several pathways.
用途与制造
UsesFor nutritional supplementation, also for treating dietary shortage or imbalance
相关反应
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关联笔记
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