35106-50-4 (β-Hydroxypalmitoyl-CoA,Coenzyme A, S-(3-hydroxyhexadecanoate))

CAS号:
35106-50-4
中文名称:
β-Hydroxypalmitoyl-CoA
英文名称:
Coenzyme A, S-(3-hydroxyhexadecanoate)
分子式:
C37H66N7O18P3S
分子量:
1021.94233179092

β-Hydroxypalmitoyl-CoA(35106-50-4)名称与标识符

名称

英文别名:
Coenzyme A,S-(3-hydroxyhexadecanoate) (9CI);S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-4-HYDROXY-3-PHOSPHONOOXYOXOLAN-2-YL]METHOXY-HYDROXYPHOSPHORYL]OXY-HY...; β-Hydroxypalmitoyl-CoA; S-DL-3-Hydroxyhexadecanoylcoenzyme A; S-DL-3-Hydroxyhexadecanoyl-CoA;Coenzyme A, S-DL-3-hydroxyhexadecanoate (7CI);Coenzyme A, S-(3-hydroxyhexadecanoate);C37H66N7O18P3S;DTXSID701296546;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] 3-hydroxyhexadecanethioate;3-Hydroxyhexadecanoyl-coa;3-Hydroxyhexadecanoyl-coenzyme A;C37-H66-N7-O18-P3-S;35106-50-4;SCHEMBL1331194;Coenzyme A, 3-hydroxypalmitoyl-;S-[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]ethyl] (3S)-3-hydroxyhexadecanethioate;beta-Hydroxypalmitoyl-coa;3-Hydroxypalmitoyl CoA;S-DL-3-Hydroxyhexadecanoyl-CoA;S-DL-3-Hydroxyhexadecanoylcoenzyme A;β-Hydroxypalmitoyl-CoA;

标识符

InChIKey:
DEHLMTDDPWDRDR-QTFKDKGUSA-N
Inchi:
1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25?,26-,30-,31-,32+,36-/m1/s1
SMILES:
S(CCNC(CCNC([C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(=O)(O)O)O)=O)=O)C(CC(CCCCCCCCCCCCC)O)=O

β-Hydroxypalmitoyl-CoA(35106-50-4)物化性质

计算特性

  • 精确分子量 : 1021.33979045g/mol
  • 氢键供体数量 : 10
  • 氢键受体数量 : 23
  • 可旋转化学键数量 : 34
  • 同位素质量 : 1021.33979045g/mol
  • 重原子数量 : 66
  • 复杂度 : 1660
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.3
  • 拓扑分子极性表面积 : 409Ų

β-Hydroxypalmitoyl-CoA(35106-50-4)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理 3003926540
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