A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of acetoacetic acid.
Synonyms: Acetoacetyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxobutanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Term information
- DrugBank:DB03059
- PMID:12501183
- PMID:27093562
- PMID:10806397
- Reaxys:78273
- LIPID_MAPS_instance:LMFA07050030
- PMID:7857927
- KEGG:C00332
- PMID:11137815
- PMID:11451959
- PMID:6118268
- PMID:28062645
- PMID:32218776
- PMID:6150478
- Wikipedia:Acetoacetyl-CoA
- PMID:239468
- PMID:29226071
- PMID:24211201
- KNApSAcK:C00007269
- PDBeChem:CAA
- FooDB:FDB022648
- UM-BBD_compID:c0229
- CAS:1420-36-6
- HMDB:HMDB0001484
- PMID:26527136
- PMID:1682408
- PMID:27124816
- PMID:16887802
3_STAR
PMID:6150478
PMID:7857927
CAS:1420-36-6
PMID:239468
Reaxys:78273
PMID:11451959
PMID:1682408
KNApSAcK:C00007269
PMID:32218776
PMID:28062645
PMID:6118268
HMDB:HMDB0001484
KEGG:C00332
FooDB:FDB022648
PMID:12501183
PMID:11137815
LIPID_MAPS_instance:LMFA07050030
PMID:16887802
PMID:24211201
PDBeChem:CAA
PMID:26527136
PMID:27124816
PMID:10806397
Wikipedia:Acetoacetyl-CoA
PMID:29226071
UM-BBD_compID:c0229
DrugBank:DB03059
PMID:27093562
Acetoacetyl coenzyme A
S-acetoacetyl-coenzyme A
acetoacetyl CoA
3-Acetoacetyl-CoA
S-Acetoacetyl-coenzym A
S-acetoacetyl-CoA
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
CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N