144319-97-1 (3-Indolepropionyl-CoA,3-Indolepropionyl-CoA)

快速询单

结构式：

3-Indolepropionyl-CoAMOL文件

CAS号：

144319-97-1

中文名称：

3-Indolepropionyl-CoA

英文名称：

3-Indolepropionyl-CoA

分子式：

C₃₂H₄₅N₈O₁₇P₃S

分子量：

938.729388952255

3-Indolepropionyl-CoA(144319-97-1)名称与标识符

名称

英文别名：

Coenzyme A,S-1H-indole-3-propanoate (9CI);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;3-Indolepropionyl-CoA;3-Indolepropionyl-coenzyme A;Coenzyme A, 3-indolepropionyl;Coenzyme A, S-1H-indole-3-propanoate;IPCoA;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} 3-(1H-indol-3-yl)propanethioate (non-preferred name);Coenzyme A, S-1H-indole-3-propanoate (9CI);3-Indolepropionyl CoA;C32-H45-N8-O17-P3-S;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-(1H-indol-3-yl)propanethioate;C32H45N8O17P3S;DTXSID60162673;144319-97-1;IPCoA; (Acyl-CoA); [M+H]+;;

标识符

InChIKey：

IXFKVXFSQBQASQ-GRBGHKMPSA-N

Inchi：

1S/C32H45N8O17P3S/c1-32(2,27(44)30(45)35-10-9-22(41)34-11-12-61-23(42)8-7-18-13-36-20-6-4-3-5-19(18)20)15-54-60(51,52)57-59(49,50)53-14-21-26(56-58(46,47)48)25(43)31(55-21)40-17-39-24-28(33)37-16-38-29(24)40/h3-6,13,16-17,21,25-27,31,36,43-44H,7-12,14-15H2,1-2H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,37,38)(H2,46,47,48)/t21-,25-,26-,27+,31-/m1/s1

SMILES：

S(C(CCC1=CNC2C=CC=CC1=2)=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