81918-99-2 (CoA persulfide,Coenzyme A, S-mercapto-)

快速询单

结构式：

CoA persulfideMOL文件

CAS号：

81918-99-2

中文名称：

CoA persulfide

英文名称：

Coenzyme A, S-mercapto-

分子式：

C₂₁H₃₆N₇O₁₆P₃S₂

分子量：

799.5991

CoA persulfide(81918-99-2)名称与标识符

名称

英文别名：

Coenzyme A, S-mercapto-(9CI);[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-(disulfanyl)ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrog;coenzyme A persulfide;Coa persulfide;Coenzyme A, S-mercapto-;DB04036;[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-4-({3-[(2-disulfanylethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name); CoA persulfide ;S-Mercaptocoenzyme A;Coa persulfide; (Acyl-CoA); [M+H]+;;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-(disulfanyl)ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate;C21-H36-N7-O16-P3-S2;81918-99-2;C21H36N7O16P3S2;DTXSID30231466;

标识符

InChIKey：

REVPHPVBPSIEKM-IBOSZNHHSA-N

Inchi：

1S/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1

SMILES：

S(C([H])([H])C([H])([H])N([H])C(C([H])([H])C([H])([H])N([H])C([C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@]1([H])[C@]([H])([C@]([H])([C@]([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C23)O1)O[H])OP(=O)(O[H])O[H])O[H])=O)=O)S[H]