产品名称:
2-hydroxy-4-isopropenylcyclohexane-1-carbonyl-CoA
其他名称: 2-hydroxy-4-isopropenylcyclohexane-1-carbonyl-CoA;2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA;2-hydroxy-4-isopropenylcyclohexane-1-carbonyl-coenzyme A;2-hydroxy-4-isopropenylcyclohexane-1-carboxyl-coenzyme A;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[2-hydroxy-4-(prop-1-en-2-yl)cyclohexane-1-carbonyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate};CHEBI:29473;LMFA07050178;CHEBI:29473; (Acyl-CoA); [M+H]+;;Q27110091;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] 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbothioate
其他名称: 2-hydroxy-4-isopropenylcyclohexane-1-carbonyl-CoA;2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA;2-hydroxy-4-isopropenylcyclohexane-1-carbonyl-coenzyme A;2-hydroxy-4-isopropenylcyclohexane-1-carboxyl-coenzyme A;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[2-hydroxy-4-(prop-1-en-2-yl)cyclohexane-1-carbonyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate};CHEBI:29473;LMFA07050178;CHEBI:29473; (Acyl-CoA); [M+H]+;;Q27110091;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] 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbothioate
结构信息
分子式 | C31H50N7O18P3S | 分子量 | 933.8 | ||
IUPAC Name | 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] 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carbothioate | ||||
InChIKey | MHSFKYBKMYLOCI-IFBDJYIYSA-N | ||||
InChI | InChI=1S/C31H50N7O18P3S/c1-16(2)17-5-6-18(19(39)11-17)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(3,4)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-15,17-20,23-25,29,39,41-42H,1,5-13H2,2-4H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,18?,19?,20-,23-,24-,25+,29-/m1/s1 | ||||
SMILES | CC(=C)C1CCC(C(C1)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O |