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Drug Details

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Name:Acetoacetyl-CoA
PubChem ID:439214
Pathway:Show KEGG pathways
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/f/h27-28,39-40,42,44H,26H2
SMILES:CC(CC(=O)SCCNC(CCNC(C(C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1[C@@H]([C@H]([C@@H](n2cnc3c(N)ncnc23)O1)O)OP(O)(O)=O)O)=O)=O)=O

Properties:
Formula:C25H40N7O18P3SAtoms:59
Molecular Weight:851.607Rotatable Bonds:24
H-bond Acceptors:24H-bond Donors:0
logP:0.0068
Targets:
Synonyms:
1420-36-6
3-Acetoacetyl-CoA
AC1L96WE
Acetoacetyl coenzyme A
Acetoacetyl-CoA
C00332
nchembio.266-comp4
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonoox