| Compound-ID | 2019 |
| Common Name | Acetoacetyl-CoA |
| Synonyms |
Acetoacetyl coenzyme A
3-Acetoacetyl-CoA |
| InChI |
InChI=1S/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
|
| SMILES |
CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1(OP(O)(O)=O))n3cnc2c(N)ncnc23
|
| External Links | |
| KEGG-COMPOUND-ID |
C00332
|
| PUBCHEM-ID | 3626 |
| ChEBI-ID |
15345
57286 41333 2392 22173 13706 11756 |
| REACTOME-ID | 73871 |
| METACYC-ID | ACETOACETYL-COA |
| METANETX-ID | MNXM725926 |
| BioModels |
15345 |
|
View all entries for compound: Acetoacetyl-CoA |