| Identification | |
| Name: | Coenzyme A,S-(3-oxobutanoate) |
| Synonyms: | Coenzyme A,S-acetoacetate (6CI,7CI,8CI); Acetoacetyl-CoA; Acetoacetylcoenzyme A; S-Acetoacetyl-CoA |
| CAS: | 1420-36-6 |
| EINECS: | 215-815-9 |
| Molecular Formula: | C25H40 N7 O18 P3 S |
| Molecular Weight: | 851.6075 |
| InChI: | InChI=1/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20?,24-/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.87g/cm3 |
| Refractive index: | 1.71 |
| Safety Data | |
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