93255-33-5 (PDCoA,Coenzyme A, S-1-pyrenedodecanoate (9CI))

快速询单

结构式：

PDCoAMOL文件

CAS号：

93255-33-5

中文名称：

PDCoA

英文名称：

Coenzyme A, S-1-pyrenedodecanoate (9CI)

分子式：

C₄₉H₆₆N₇O₁₇P₃S

分子量：

1150.07133436203

PDCoA(93255-33-5)名称与标识符

名称

英文别名：

Coenzyme A,S-1-pyrenedodecanoate (9CI);pyrenedodecanoyl-coenzyme A;PDCoA;Pyrenedodecanoyl-coa;Coenzyme A, pyrenedodecanoyl-;Coenzyme A, S-1-pyrenedodecanoate;S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 12-pyren-1-yldodecanethioate;PDCoA; (Acyl-CoA); [M+H]+;;DTXSID701346238;93255-33-5;

标识符

InChIKey：

BPNVONKYJJXBQT-UHFFFAOYSA-N

Inchi：

1S/C49H66N7O17P3S/c1-49(2,28-70-76(67,68)73-75(65,66)69-27-36-43(72-74(62,63)64)42(59)48(71-36)56-30-55-41-45(50)53-29-54-46(41)56)44(60)47(61)52-24-23-37(57)51-25-26-77-38(58)16-11-9-7-5-3-4-6-8-10-13-31-17-18-34-20-19-32-14-12-15-33-21-22-35(31)40(34)39(32)33/h12,14-15,17-22,29-30,36,42-44,48,59-60H,3-11,13,16,23-28H2,1-2H3,(H,51,57)(H,52,61)(H,65,66)(H,67,68)(H2,50,53,54)(H2,62,63,64)

SMILES：

S(CCNC(CCNC(C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(N2C=NC3C(N)=NC=NC2=3)O1)O)OP(=O)(O)O)O)=O)=O)C(CCCCCCCCCCCC1=CC=C2C=CC3=CC=CC4C=CC1=C2C=43)=O