3α,7α,12α-Trihydroxy-5β-cholestan-26-oyl-CoA(57458-60-3)名称与标识符
名称
英文别名：
Cholestane-26-thioicacid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3a,5b,7a,12a)-;LogP; 3α,7α,12α-Trihydroxy-5β-cholestanoyl Coenzyme A; 3α,7α,12α-Trihydroxy-5β-
cholestanoic acid coenzyme A ester; 3α,7α,12α-Trihydroxy-5β-cholestan-26-oyl-CoA;Coenzyme A, cholestane-26-thioic acid deriv.;Cholestane-26-thioic acid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3α,5β,7α,12α)-;3,7,12-Trihydroxy-5beta-cholestanoyl-CoA;57458-60-3;S-(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-26-thioate;3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-coenzyme A;3,7,12-Trihydroxycholestan-26-oyl-coa;Cholestane-26-thioic acid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3alpha,5beta,7alpha,12alpha)-;Thca-CoA;3α,7α,12α-Trihydroxy-5β-cholestan-26-oyl-CoA;3α,7α,12α-Trihydroxy-5β-cholestanoic acid coenzyme A ester;3α,7α,12α-Trihydroxy-5β-cholestanoyl Coenzyme A;
标识符
InChIKey：
MNYDLIUNNOCPHG-SDCYZOLESA-N
Inchi：
1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26?,27?,28?,29-,30+,31+,32?,33-,34?,36+,38-,39-,40+,44-,47+,48-/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(C(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(CC4CC(CC[C@]4(C)[C@H]3CC([C@@]21C)O)O)O)=O
3003926540 
