Arachidonoyl coenzyme A lithium salt
Arachidonoyl coenzyme A lithium salt · CAS 188174-63-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Arachidonoyl coenzyme A lithium salt
- CAS
- 188174-63-2
- CID
- 23679053
- IUPAC 名称
- lithium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Arachidonoyl coenzyme A lithium salt
- CAS
- 188174-63-2
- CID
- 23679053
- IUPAC 名称
- lithium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
分子属性
- 分子式
- C41H65LiN7O17P3S
- 分子量
- 1059.9 g/mol
- 精确质量
- 1059.35305423 Da
- 单同位素质量
- 1059.35305423 Da
- XLogP
- 暂无
- 极性表面积
- 392 Ų
- 氢键供体
- 8
- 氢键受体
- 22
- 可旋转键
- 34
- 重原子数
- 70
- 净电荷
- 0
- 结构复杂度
- 1890
结构标识
- InChIKey
- PFJKRDANWCBXHE-VKSULDSYSA-M
- SMILES
- [Li+].CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=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
- InChI
- InChI=1S/C41H66N7O17P3S.Li/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48;/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56);/q;+1/p-1/b9-8+,12-11+,15-14+,18-17+;/t30-,34-,35-,36+,40-;/m1./s1