6709-57-5 (亚油酰基辅酶A,Coenzyme A, S-(9Z,12Z)-9,12-octadecadienoate)

CAS号:
6709-57-5
中文名称:
亚油酰基辅酶A
英文名称:
Coenzyme A, S-(9Z,12Z)-9,12-octadecadienoate
分子式:
C39H66N7O17P3S
分子量:
1029.96433210373

亚油酰基辅酶A(6709-57-5)名称与标识符

名称

中文别名:
亚麻酰基辅酵素 a;亚油酰辅酶A;S-亚麻酰-CoA;
英文别名:
Coenzyme A,S-(9Z,12Z)-9,12-octadecadienoate;LINOLEOYL 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;18:2,linoleoyl-CoA;linoleoyl-CoA;Linoleyl-coenzyme A;S-Linoleoyl-CoA; S-Linoleoyl-CoA; Linoleyl-coenzyme A; Linoleyl-CoA; Linoleoyl-CoA; Linoleoyl coenzyme A; (Z,Z)-9,12-Octadecadienoyl-CoA; Coenzyme A, S-linoleate (7CI,8CI);Coenzyme A, S-9,12-octadecadienoate, (Z,Z)-;Coenzyme A, S-(9Z,12Z)-9,12-octadecadienoate;YECLLIMZHNYFCK-RRNJGNTNSA-N;(Z,Z)-9,12-Octadecadienoyl-CoA;Coenzyme A, S-9,12-octadecadienoate, (Z,Z);Coenzyme A, S-(9Z,12Z)-9,12-octadecadienoate (9CI);6709-57-5;LMFA07050343;(9Z,12Z)-Octadecadienoyl-CoA;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z)-octadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate};C02050;9H-purin-6-amine, 9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-;CHEBI:15530;O-phosphono-beta-D-ribofuranosyl]-;Q27098082;Linoleoyl coenzyme A lithium salt;LINOLEOYLCOENZYMEA;Coenzyme A,S-(9Z,12Z,15Z)-9,12,15-octadecatrienoate;Linoleoyl CoA;DTXSID10420558;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] (9Z,12Z)-octadeca-9,12-dienethioate;S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) (9Z,12Z)-octadeca-9,12-dienethioate;Coenzyme A, S-linoleate;J-000977;Coenzyme A, S-linoleate (7CI,8CI);18:2, linoleoyl-CoA;(9Z,12Z)-Octadecadienoyl-Coenzyme A;9Z-12Z-octadecadienoyl-CoA;Linoleyl-CoA;Coenzyme A, linoleoyl-;

标识符

InChIKey:
YECLLIMZHNYFCK-RRNJGNTNSA-N
Inchi:
1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b9-8-,12-11-/t28-,32-,33-,34+,38-/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(CCCCCCC/C=C\C/C=C\CCCCC)=O

亚油酰基辅酶A(6709-57-5)物化性质

实验特性

  • LogP : 5.84120
  • PSA : 418.36000
  • 折射率 : 1.626
  • 密度 : 1.51

计算特性

  • 精确分子量 : 1029.34000
  • 氢键供体数量 : 9
  • 氢键受体数量 : 18
  • 可旋转化学键数量 : 34
  • 同位素质量 : 1029.344874
  • 重原子数量 : 67
  • 复杂度 : 1750
  • 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 : 2
  • 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) : 1.1
  • 拓扑分子极性表面积 : 389

亚油酰基辅酶A(6709-57-5)安全信息

亚油酰基辅酶A(6709-57-5)推荐厂家 更多厂家(5)

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
上海赛可锐生物科技有限公司 13003271654
021-58000709
赛可锐生物 3004122151
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杭州六可生物科技有限公司 15658003402
0086-571-86912261
Susan 3671025517
询单
星基医药(上海)有限公司 15705593425
15705593425
李星星 1280168603
询单
四川维克奇生物科技有限公司 13348961525杨洋 2851167780
询单