24330-89-0 (Behenyl-CoA,Coenzyme A, S-docosanoate)

CAS号:
24330-89-0
中文名称:
Behenyl-CoA
英文名称:
Coenzyme A, S-docosanoate
分子式:
C43H78N7O17P3S
分子量:
1090.10241365433

Behenyl-CoA(24330-89-0)名称与标识符

名称

英文别名:
behenyl-coenzyme A;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]ethy; Docosanoyl-coenzyme A; Docosanoyl-CoA; Behenyl-CoA; Behenoyl-coenzyme A; Behenoyl-CoA;Docosanethioic acid, S-ester with coenzyme A (8CI);Coenzyme A, S-docosanoate;behenoyl-Coenzyme A;Behenoyl-CoA;SCHEMBL188385;DTXSID60179069;C43-H78-N7-O17-P3-S;Behenyl-CoA; (Acyl-CoA); [M+H]+;;S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] docosanethioate;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(docosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate};Coenzyme A, behenyl-;Behenoyl-CoA; Docosanoyl-CoA;Docosanoyl-CoA;24330-89-0;docosanoyl-coenzyme A;FFI;C43H78N7O17P3S;CHEBI:65088;Q27133642;LMFA07050289;Behenyl-coa;behenyl CoA;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] docosanethioate;

标识符

InChIKey:
NDDZLVOCGALPLR-GNSUAQHMSA-N
Inchi:
1S/C43H78N7O17P3S/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/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/t32-,36-,37-,38+,42-/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(CCCCCCCCCCCCCCCCCCCCC)=O

Behenyl-CoA(24330-89-0)物化性质

计算特性

  • 精确分子量 : 1089.43877621g/mol
  • 氢键供体数量 : 9
  • 氢键受体数量 : 22
  • 可旋转化学键数量 : 40
  • 同位素质量 : 1089.43877621g/mol
  • 重原子数量 : 71
  • 复杂度 : 1730
  • 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 : 0
  • 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) : 4.9
  • 拓扑分子极性表面积 : 389Ų

Behenyl-CoA(24330-89-0)推荐厂家 更多厂家(2)

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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上海维亦特生物科技有限公司 15317051735赵静 2033721411
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