Product Name：
2-aminobenzoylacetyl-CoA
Other Names： 2-aminobenzoylacetyl-CoA；2-aminobenzoylacetyl-coenzyme A；CHEBI:131952；C21452；Q27225319；3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(2-aminophenyl)-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Other Names： 2-aminobenzoylacetyl-CoA；2-aminobenzoylacetyl-coenzyme A；CHEBI:131952；C21452；Q27225319；3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(2-aminophenyl)-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Structural Information
| Molecular Formula | C30H43N8O18P3S | Molecular Weight | 928.7 | ||
| IUPAC Name | 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-(2-aminophenyl)-3-oxopropanethioate | ||||
| InChIKey | OLOTULRNHWZRKJ-FUEUKBNZSA-N | ||||
| InChI | InChI=1S/C30H43N8O18P3S/c1-30(2,25(43)28(44)34-8-7-20(40)33-9-10-60-21(41)11-18(39)16-5-3-4-6-17(16)31)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32)35-14-36-27(22)38/h3-6,14-15,19,23-25,29,42-43H,7-13,31H2,1-2H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,23-,24-,25+,29-/m1/s1 | ||||
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)C4=CC=CC=C4N)O | ||||
