Clofibryl-CoA(104732-21-0)名称与标识符
名称
英文别名:
Coenzyme A,S-[2-(4-chlorophenoxy)-2-methylpropanoate] (9CI);clofibric acid-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;Clofibric acid-coa;Clofibroyl-coa;Clofibroyl-coenzyme A;Coenzyme A, clofibric acid-;Coenzyme A, clofibroyl-;Coenzyme A, S-(2-(4-chlorophenoxy)-2-methylpropanoate);S-{(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} 2-(4-chlorophenox; Clofibryl-CoA
;Coenzyme A, S-[2-(4-chlorophenoxy)-2-methylpropanoate] (9CI);9-{5-O-[({[4-({3-[(2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]sulfanyl}ethyl)imino]-3-hydroxypropyl}imino)-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine;C31H45ClN7O18P3S;104732-21-0;Clofibroyl-CoA; (Acyl-CoA); [M+H]+;;DTXSID60909161;C31-H45-Cl-N7-O18-P3-S;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-(4-chlorophenoxy)-2-methylpropanethioate;Clofibryl-CoA;
标识符
InChIKey:
YCMNRTMIKDPOSZ-VXAHOBLNSA-N
Inchi:
1S/C31H45ClN7O18P3S/c1-30(2,24(42)27(43)35-10-9-20(40)34-11-12-61-29(44)31(3,4)55-18-7-5-17(32)6-8-18)14-53-60(50,51)57-59(48,49)52-13-19-23(56-58(45,46)47)22(41)28(54-19)39-16-38-21-25(33)36-15-37-26(21)39/h5-8,15-16,19,22-24,28,41-42H,9-14H2,1-4H3,(H,34,40)(H,35,43)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t19-,22-,23-,24+,28-/m1/s1
SMILES:
ClC1C=CC(=CC=1)OC(C)(C)C(=O)SCCNC(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