Glutaryl coenzyme A
Glutaryl coenzyme A · CAS 103192-48-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Glutaryl coenzyme A
- CAS
- 103192-48-9
- CID
- 439252
- IUPAC 名称
- 5-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-5-oxopentanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Glutaryl coenzyme A
- CAS
- 103192-48-9
- CID
- 439252
- IUPAC 名称
- 5-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-5-oxopentanoic acid
分子属性
- 分子式
- C26H42N7O19P3S
- 分子量
- 881.6 g/mol
- 精确质量
- 881.1469043 Da
- 单同位素质量
- 881.1469043 Da
- XLogP
- -5.8
- 极性表面积
- 426 Ų
- 氢键供体
- 10
- 氢键受体
- 24
- 可旋转键
- 24
- 重原子数
- 56
- 净电荷
- 0
- 结构复杂度
- 1530
结构标识
- InChIKey
- SYKWLIJQEHRDNH-KRPIADGTSA-N
- SMILES
- CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O
- InChI
- InChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t14-,19-,20-,21?,25-/m1/s1