Compound Details

 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 191293
 METACYC-ID ACETOACETYL-COA
 METANETX-ID MNXM725926
 BioModels 15345


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