Product Name：
3-Indolepropionyl-CoA
Other Names： 3-Indolepropionyl-coenzyme A;Coenzyme A,S-1H-indole-3-propanoate
CAS：144319-97-1
Other Names： 3-Indolepropionyl-coenzyme A;Coenzyme A,S-1H-indole-3-propanoate
CAS：144319-97-1
Structural Information
| Molecular Formula | C32H45N8O17P3S | Molecular Weight | 938.73 | ||
| IUPAC Name | [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-4-[[3-[2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate | ||||
| InChIKey | ZRDQFWRSRPZOSQ-UHFFFAOYSA-N | ||||
| InChI | InChI=1S/C33H48N9O17P3S/c1-33(2,28(46)31(47)37-10-8-23(43)36-11-12-63-15-24(44)35-9-7-19-13-38-21-6-4-3-5-20(19)21)16-56-62(53,54)59-61(51,52)55-14-22-27(58-60(48,49)50)26(45)32(57-22)42-18-41-25-29(34)39-17-40-30(25)42/h3-6,13,17-18,22,26-28,32,38,45-46H,7-12,14-16H2,1-2H3,(H,35,44)(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,34,39,40)(H2,48,49,50) | ||||
| 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)NCCSCC(=O)NCCC4=CNC5=CC=CC=C54)O | ||||
Literature
