6050-48-2 (Cholyl-CoA,Cholane-24-thioic acid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3α,5β,7α,12α)-)

快速询单

结构式：

Cholyl-CoAMOL文件

CAS号：

6050-48-2

中文名称：

Cholyl-CoA

英文名称：

Cholane-24-thioic acid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3α,5β,7α,12α)-

分子式：

C₄₅H₇₄N₇O₂₀P₃S

分子量：

1158.09025430679

Cholyl-CoA(6050-48-2)名称与标识符

名称

英文别名：

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} (4R)-4-[(3R,5S,7R,8R,9S,10S,;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~-; Cholyl-coenzyme A; Cholyl-CoA; Choloyl-coenzyme A; Cholanoyl Coenzyme A;Coenzyme A, S-cholate (6CI,8CI);Cholane-24-thioic acid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3α,5β,7α,12α)-;3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoyl-CoA;3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-one-CoA;S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-CoA;9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]thio]ethyl]amino]propyl]amino]butyl]ox;cholyl-CoA;6050-48-2;Cholyl-coenzyme A;Coenzyme A, S-cholate;y]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-;CHEBI:15519;Cholane-24-thioic acid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3alpha,5beta,7alpha,12alpha)-;Choloyl-CoA;Q27098074;3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate};Cholanoyl Coenzyme A;3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl-coenzyme A;C01794;3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl-CoA;Choloyl-coenzyme A;choloyl-CoA tetraanion;cholyl-coenzyme A(4-);cholyl-CoA(4-);choloyl-coenzyme A(4-);

标识符

InChIKey：

ZKWNOTQHFKYUNU-JGCIYWTLSA-N

Inchi：

1S/C45H74N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-31,34,36-38,42,53-55,58-59H,6-20H2,1-5H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t23-,24+,25-,26-,27+,28+,29-,30-,31+,34+,36-,37-,38+,42-,44+,45-/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(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@@H]([C@@]21C)O)O)O)=O