6244-93-5 (Malonylsemialdehyde-CoA,Coenzyme A, S-(3-oxopropanoate))

快速询单

结构式：

Malonylsemialdehyde-CoAMOL文件

CAS号：

6244-93-5

中文名称：

Malonylsemialdehyde-CoA

英文名称：

Coenzyme A, S-(3-oxopropanoate)

分子式：

C₂₄H₃₈N₇O₁₈P₃S

分子量：

837.58

Malonylsemialdehyde-CoA(6244-93-5)名称与标识符

名称

英文别名：

Malonyl-CoA semialdehyde; Malonylsemialdehyde-CoA ; Malonylsemialdehyde coenzyme A;Coenzyme A, S-malonaldehydate (6CI,8CI);Coenzyme A, S-(3-oxopropanoate);S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-oxopropanethioate;SCHEMBL108004;Q27103823;CHEBI:15489;C05989;3-oxopropanoyl-CoA;3-Oxopropionyl-CoA;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] 3-oxopropanethioate;DTXSID501303860;6244-93-5;3-oxopropanoyl-coenzyme A;CHEBI:28673;Malonyl semialdehyde-CoA;Malonylsemialdehyde coenzyme A;Malonylsemialdehyde-CoA;

标识符

InChIKey：

NMEYBPUHJHMRHU-IEXPHMLFSA-N

Inchi：

1S/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11-13,17-19,23,35-36H,3-6,8-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19+,23-/m1/s1

SMILES：

O[C@@H]1[C@@H]([C@@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC=O)O[C@H]1N1C=NC2=C(N=CN=C12)N)OP(O)(O)=O