22:6 Coenzyme A
22:6 Coenzyme A · CAS 800377-20-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 22:6 Coenzyme A
- CAS
- 800377-20-2
- CID
- 131885369
- IUPAC 名称
- S-[2-[3-[[(2R)-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]ethyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenethioate;azane
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 22:6 Coenzyme A
- CAS
- 800377-20-2
- CID
- 131885369
- IUPAC 名称
- S-[2-[3-[[(2R)-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]ethyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenethioate;azane
分子属性
- 分子式
- C43H75N10O17P3S
- 分子量
- 1129.1 g/mol
- 精确质量
- 1128.42452313 Da
- 单同位素质量
- 1128.42452313 Da
- XLogP
- 暂无
- 极性表面积
- 392 Ų
- 氢键供体
- 12
- 氢键受体
- 25
- 可旋转键
- 34
- 重原子数
- 74
- 净电荷
- 0
- 结构复杂度
- 2010
结构标识
- InChIKey
- CTZVGYDJDPNALD-KEZPMSFUSA-N
- SMILES
- CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O.N.N.N
- InChI
- InChI=1S/C43H66N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50;;;/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58);3*1H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-;;;/t32-,36-,37-,38+,42-;;;/m1.../s1