1716-06-9 (油酸辅酶A,Coenzyme A, S-(9Z)-9-octadecenoate)

CAS号:
1716-06-9
中文名称:
油酸辅酶A
英文名称:
Coenzyme A, S-(9Z)-9-octadecenoate
分子式:
C39H68N7O17P3S
分子量:
1031.98021221161

油酸辅酶A(1716-06-9)名称与标识符

名称

中文别名:
油酰基辅酶A;
英文别名:
Coenzyme A,S-(9Z)-9-octadecenoate;OLEOYL COENZYME A POTASSIUM SALT;(9Z)-octadec-9-enoyl-CoA;< U-14C> -Oleyl-CoA;cis-9-Octadecenoyl-CoA;Oleoyl-coenzyme A;Oleyl coenzyme A;油酰基辅酶A;S-octadec-9c-enoyl-coenzyme-A;S-oleoyl-CoA;S-oleoylcoenzyme A;Oleoyl-CoA;Einecs 216-998-8;OLEOYL COENZYME A;CIS-9-OCTADECENOYL COENZYME A;Coenzyme A (Z)-S-9-octadecenoate;Oleoyl coenzyme A dipotassium salt;coenzyme A oleoyl derivative, dihydrate;CIS-9-OCTADECENOYL COENZYME A POTASSIUM SALT; cis-9-Octadecenoyl-CoA; Oleyl-CoA; Oleyl coenzyme A; Oleoyl-CoA; Oleoyl coenzyme A; Coenzyme A oleate; Coenzyme A cis-9-octadecenoate; 9-Octadecenoyl-coenzyme A; 9-Octadecenoyl-CoA; Coenzyme A, S-oleate (7CI,8CI);Coenzyme A, S-9-octadecenoate, (Z)-;Coenzyme A, S-(9Z)-9-octadecenoate;cis-9-octadecenoyl-coenzyme A;cis-Delta(9)-octadecenoyl-CoA;S-[(9Z)-octadec-9-enoyl]-coenzyme A;Coenzyme A cis-9-octadecenoate;UNII-SPV646A327;BDBM27948;(9Z)-Octadecenoyl-CoA;S-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]-3,5,9-Trihydroxy-8,8-Dimethyl-3,5-Dioxido-10,14-Dioxo-2,4,6-Trioxa-11,15-Diaza-3lambda~5~,5lambda~5~-Diphosphaheptadecan-17-Yl} (9z)-Octadec-9-Enethioate (Non-Preferred Name);Coenzyme A, S-(9Z)-9-octadecenoate (9CI);o-beta-D-ribofuranosyl]-;Coenzyme A, S-oleate;18:1, oleoyl-CoA 9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(9Z)-1-oxo-9-octadecenyl]thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphon;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate};SPV646A327;LMFA07050356;C39H68N7O17P3S;C00510;Oleoyl CoA;[14C] oleoyl coenzyme A;Coenzyme A oleate;coenzyme A, oleoyl-;9-Octadecenoyl-coenzyme A;D05HXE;{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid;3VV;cis-Delta(9)-octadecenoyl-coenzyme A;1716-06-9;S-[(9Z)-octadec-9-enoyl]-CoA;CHEBI:15534;[14C]Oleyl-CoA;DTXSID601318533;9-Octadecenoyl-CoA;Coenzyme A, S-oleate (7CI,8CI);Octadecenoyl-CoA (n-C18:1CoA);Oleoyl coenzyme A lithium salt;J-012171;Q27088172;C39-H68-N7-O17-P3-S;GTPL2386;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] (Z)-octadec-9-enethioate;[14C]oleoyl-CoA;(9Z)-octadec-9-enoyl-coenzyme A;Oleyl-CoA;CS-0032765;HY-109591;cis-9-octadecenoyl-coenzyme A(4-);cis-9-octadecenoyl-CoA(4-);(9Z)-octadec-9-enoyl-CoA(4-);oleoyl-coenzyme A(4-);4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethyl-N-(2-((2-((9Z)-octadec-9-enoylsulphanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)butanimidate;4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethyl-N-(2-((2-((9Z)-octadec-9-enoylsulfanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)butanimidate;4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid;4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate;4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(9Z)-octadec-9-enoylsulphanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidate;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) (Z)-octadec-9-enethioate;3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-((3-((2-(((9Z)-octadec-9-enoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-4-oxobutyl) dihydrogen diphosphate);oleyl-coenzyme A;18:1 cis-9;9H-purin-6-amine,;cis-octadec-9-enoyl-CoA;S-((9Z)-octadec-9-enoyl)-CoA;S-((9Z)-octadec-9-enoyl)-coenzyme A;4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethyl-N-(2-((2-((9Z)-octadec-9-enoylsulphanyl)ethyl)-C-hydroxycarbonimidoyl)ethyl)butanimidic acid;

标识符

InChIKey:
XDUHQPOXLUAVEE-BPMMELMSSA-N
Inchi:
1S/C39H68N7O17P3S/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/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/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\CCCCCCCC)=O

油酸辅酶A(1716-06-9)物化性质

实验特性

  • PSA : 363.63

计算特性

  • 精确分子量 : 1031.36094
  • 氢键供体数量 : 9
  • 氢键受体数量 : 22
  • 可旋转化学键数量 : 35
  • 同位素质量 : 1031.36052589g/mol
  • 重原子数量 : 67
  • 复杂度 : 1700
  • 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 : 1
  • 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) : 1.8
  • 拓扑分子极性表面积 : 389Ų

油酸辅酶A(1716-06-9)推荐厂家 更多厂家(4)

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
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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上海甄准生物科技有限公司 18217024652
021-68920155
张经理18217024652 3001084617
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杭州六可生物科技有限公司 15658003402
0086-571-86912261
Susan 3671025517
询单

油酸辅酶A(1716-06-9)合成路线

合成路线:1 步
反应条件:
参考文献:
A Novel Paradigm of Fatty Acid β-Oxidation Exemplified by the Thioesterase-Dependent Partial Degradation of Conjugated Linoleic Acid That Fully Supports Growth of Escherichia coli
By Nie, Lina et al, Biochemistry, 2008, 47(36), 9618-9626
合成路线:1 步
反应条件:
参考文献:
Promiscuous Fatty Acyl CoA Ligases Produce Acyl-CoA and Acyl-SNAC Precursors for Polyketide Biosynthesis
By Arora, Pooja et al, Journal of the American Chemical Society, 2005, 127(26), 9388-9389