capryloyl-CoA
capryloyl-CoA · CAS 324518-20-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- capryloyl-CoA
- CAS
- 324518-20-9
- CID
- 380
- IUPAC 名称
- S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] octanethioate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- capryloyl-CoA
- CAS
- 324518-20-9
- CID
- 380
- IUPAC 名称
- S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] octanethioate
分子属性
- 分子式
- C29H50N7O17P3S
- 分子量
- 893.7 g/mol
- 精确质量
- 893.21967532 Da
- 单同位素质量
- 893.21967532 Da
- XLogP
- -2.6
- 极性表面积
- 389 Ų
- 氢键供体
- 9
- 氢键受体
- 22
- 可旋转键
- 26
- 重原子数
- 57
- 净电荷
- 0
- 结构复杂度
- 1480
结构标识
- InChIKey
- KQMZYOXOBSXMII-UHFFFAOYSA-N
- SMILES
- CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
- InChI
- InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)