識別子と物理属性
| CAS No. | 57-60-3 |
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| 分子式 | C3H3O3- |
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| 平均分子量 | 87.05 g/mol |
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| 単同位体質量 | 87.00821895 g/mol |
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| SMILES | CC(=O)C(=O)[O-] |
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| InChIKey | LCTONWCANYUPML-UHFFFAOYSA-M |
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| PubChem CID | 107735 |
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| ChEMBL | CHEMBL1162144 |
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| ChEBI | CHEBI:15361 |
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| EC No. | 106-312-4 |
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| DTXSID | DTXSID50205604 |
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化学・物理的性質
| XLogP | -0.6 |
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| 極性表面積 | 57.2 |
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| 水素結合供与体数 | 0 |
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| 水素結合受容体数 | 3 |
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| 回転可能結合数 | 0 |
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| 重原子数 | 6 |
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| 形式電荷 | -1 |
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| 複雑度 | 78 |
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安全性と法規制
| GHS 分類 | DangerH314 (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. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| 暴露経路 | Pyruvate is absorbed from the gastrointestinal tract from whence it is transported to the liver via the portal circulation. |
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| 毒性の概要 | 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. |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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