4-Tolylacetyl-CoA(124924-92-1)名称与标识符
名称
英文别名:
Coenzyme A,S-(4-methylbenzeneacetate) (9CI);4-tolylacetyl-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;4-Tolylacetyl-coa;Coenzyme A, 4-tolylacetyl-;Coenzyme A, S-(4-methylbenzeneacetate);p-Tolylacetyl-coenzyme A;S-{(9R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (4-methylphenyl)ethanethioate (non-preferred name);124924-92-1;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-methylphenyl)ethanethioate;DTXSID30924967;9-{5-O-[({[3,4-Dihydroxy-4-({3-hydroxy-3-[(2-{[(4-methylphenyl)acetyl]sulfanyl}ethyl)imino]propyl}imino)-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine;4-Tolylacetyl-CoA; (Acyl-CoA); [M+H]+;;
标识符
InChIKey:
GOWLCGDSMBSDPX-FUEUKBNZSA-N
Inchi:
1S/C30H44N7O17P3S/c1-17-4-6-18(7-5-17)12-21(39)58-11-10-32-20(38)8-9-33-28(42)25(41)30(2,3)14-51-57(48,49)54-56(46,47)50-13-19-24(53-55(43,44)45)23(40)29(52-19)37-16-36-22-26(31)34-15-35-27(22)37/h4-7,15-16,19,23-25,29,40-41H,8-14H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25+,29-/m1/s1
SMILES:
S(C(CC1C=CC(C)=CC=1)=O)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