EC 1.1.1.1 (CAS 9031-72-5) — formula C43H62N7O18P3S-4, molecular weight 1090.0; category organic chemicals.
EC 1.1.1.1 is a carbon-based organic compound with CAS registry number 9031-72-5 and molecular formula C43H62N7O18P3S-4 (molecular weight 1090.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 9031-72-5
Its molecular formula C43H62N7O18P3S-4 comprises 43 C, 62 H, 7 N, 18 O, 3 P, 1 S atoms.
Also known as: EC 1.1.1.1 · Alcohol dehydrogenase(Arabidopsis thaliana gene At2g37760) (9CI) · Dehydrogenase, alcohol (nicotinamide adenine dinucleotide phosphate)
Category: organic chemicals
The CAS registry number of EC 1.1.1.1 is 9031-72-5.
Molecular formula C43H62N7O18P3S-4, molecular weight 1090.0.
It is also registered under: EC 1.1.1.1, Alcohol dehydrogenase(Arabidopsis thaliana gene At2g37760) (9CI), Dehydrogenase, alcohol (nicotinamide adenine dinucleotide phosphate).
Category: Organic Chemicals.
Public-database records for EC 1.1.1.1 (CAS 9031-72-5), reproduced here for independent cross-checking.
| 已通报的危害声明 | H317 (99%), H334 (100%) |
|---|
| CAS 号 | 9031-72-5 |
|---|---|
| PubChem CID | 78120390 |
| 分子式 | C43H62N7O18P3S-4 |
| IUPAC 名称 | [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxodocosa-7,10,13,16,19-pentaenoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate |
Alcohol dehydrogenase; 9031-72-5; DEHYDROGENASE, ALCOHOL; RefChem:553305; Alcohol NAD+ Oxidoreductase; Alcohol-NAD+ Oxidoreductase; Alcohol:NAD+ oxidoreductase; Oxidoreductase, Alcohol-NAD+; Alcohol Dehydrogenase (NAD+); DTXSID7093872; EINECS 232-870-4; 232-870-4; 952-015-5; 3-oxo-docosapentaenoyl-CoA; Alcohol Dehydrogenase from Saccharomyces cerevisiae; Alcohol-dehydrogenase from Yeast [for Blood alcohol-test],
| 分子量 | 1090.0 |
|---|---|
| XLogP3 | -0.3 |
| 氢键供体数 | 5 |
| 氢键受体数 | 23 |
| 可旋转键数 | 34 |
| 精确质量 | 1089.30849032 |
| 单同位素质量 | 1089.30849032 |
| 拓扑极性表面积 | 417 |
| 重原子数 | 72 |
| 形式电荷 | -4 |
乙醇脱氢酶（ADH） · CAS 9031-72-5 · C43H62N7O18P3S-4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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