Product Name：
Carboxymethyl-CoA
Other Names： 羧甲基辅酶A；carboxymethyl-coenzyme A；S-(Carboxymethyl)coenzyme A
CAS：79955-48-9
Other Names： 羧甲基辅酶A；carboxymethyl-coenzyme A；S-(Carboxymethyl)coenzyme A
CAS：79955-48-9
Structural Information
| Molecular Formula | C23H38N7O18P3S | Molecular Weight | 825.57 | ||
| IUPAC Name | 2-[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]ethylsulfanyl]acetic acid | ||||
| InChIKey | OBUOSIHPWVNVJN-GRFIIANRSA-N | ||||
| InChI | InChI=1S/C23H38N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/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)NCCSCC(=O)O)O | ||||
