15895-27-9 (Arachidyl CoA,Coenzyme A, S-eicosanoate)

CAS号:
15895-27-9
中文名称:
Arachidyl CoA
英文名称:
Coenzyme A, S-eicosanoate
分子式:
C41H74N7O17P3S
分子量:
1062.04925298691

Arachidyl CoA(15895-27-9)名称与标识符

名称

英文别名:
Coenzyme A,S-eicosanoate;(C20:0) 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;ARACHIDOYL COENZYME A;ARACHIDOYL COENZYME A (C20:0) FREE ACID;ARACHINOYL-COENZYME A HYDRATE;coenzyme A arachidoyl derivative (C20:0), monohydrate;EICOSANOYL COENZYME A;Eicosanoyl-CoA;S-[2-[3-[[(2R)-4-[[[(2R,3R,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] icosanethioate; Eicosyl-coenzyme A ; Eicosanoyl-CoA; Eicosanoyl coenzyme A; Eicosanethioic acid S-ester with coenzyme A; Arachidyl coenzyme A; Arachidyl CoA; Arachidoyl-CoA; Arachidoyl coenzyme A;Arachidinoyl-CoA;Coenzyme A, S-eicosanoate;Eicosanethioate;S-eicosanoic acid;C02041;Arachidoyl-coenzyme A;LMFA07050329;Adenosine 3'-phosphoric acid 5'-[diphosphoric acid beta-[(R)-3-hydroxy-4-[[3-[[2-(icosanoylthio)ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]] ester;CHEBI:15527;Icosanoyl-CoA;C41-H74-N7-O17-P3-S;Eicosanethioic acid;Coenzyme A, arachidoyl-;3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(icosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate);Arachidyl coenzyme A;S-eicosanoate;S-eicosanoate 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]ethyl] icosanethioate;C41H74N7O17P3S;Eicosyl-coenzyme A;Arachidoyl-coa;3IX;15895-27-9;Arachidinoyl-Coenzyme A;Q27098079;Arachidyl CoA;DTXSID601317430;S-eicosanoate CoA;Eicosanethioic acid S-ester with coenzyme A;SCHEMBL6006438;

标识符

InChIKey:
JYLSVNBJLYCSSW-IBYUJNRCSA-N
Inchi:
1S/C41H74N7O17P3S/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/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t30-,34-,35-,36+,40-/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(CCCCCCCCCCCCCCCCCCC)=O

Arachidyl CoA(15895-27-9)物化性质

实验特性

  • LogP : 7.96820
  • PSA : 425.34000
  • 折射率 : 1.619
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : 1.48

计算特性

  • 精确分子量 : 1061.407
  • 氢键供体数量 : 9
  • 氢键受体数量 : 22
  • 可旋转化学键数量 : 38
  • 同位素质量 : 1061.407
  • 重原子数量 : 69
  • 复杂度 : 1690
  • 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) : 3.9
  • 拓扑分子极性表面积 : 389Ų

Arachidyl CoA(15895-27-9)安全信息

Arachidyl CoA(15895-27-9)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
询单

Arachidyl CoA(15895-27-9)合成路线

合成路线:1 步
反应条件:
参考文献:
Changes in acyl-coenzyme A pools in sunflower seeds with modified fatty acid composition
By Aznar-Moreno, Jose A. et al, Phytochemistry (Elsevier, 2013, 87, 39-50
合成路线:2 步
反应条件:
参考文献:
Polysilylated coenzyme A for a high-yielding preparation of very lipophilic acyl coenzymes A in anhydrous organic solvents
By Lucet-Levannier, Karine et al, Journal of the American Chemical Society, 1995, 117(28), 7546-7
合成路线:2 步
反应条件:
参考文献:
Process for synthesizing fatty acid-acylated thiol transporter derivatives, particularly of acyl coenzyme A derivatives, and the acyl coenzyme A derivatives thus obtained.
By Lellouche, Jean-Paul et al, Eur. Pat. Appl., From Eur. Pat. Appl., 618218, 05 Oct 1994, 618218, 05 Oct 1994

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