Names and Identifiers

• • Coenzyme A,S-(3-oxobutanoate)
  • Acetoacetyl coa
  • S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-di
  • S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-oxobutanethioate (non-preferred name)
  • S-Acetoacetylcoenzyme A
  • S-Acetoacetyl-CoA
  • Acetoacetylcoenzyme A
  • Acetoacetyl-CoA
  • Coenzyme A, S-acetoacetate (6CI,7CI,8CI)
  • Coenzyme A, S-(3-oxobutanoate)
  • 3-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}
  • SCHEMBL60436
  • 3-ketobutyroyl-CoA
  • 1dub
  • 3-oxobutyryl-Coenzyme A
  • acetoacetyl-CoA; (Acyl-CoA); [M+H]+;
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate
  • S-Acetoacetyl-CoA
  • 3-oxobutanoyl-CoA
  • CHEBI:15345
  • acetoacetyl-coenzyme a
  • C25-H40-N7-O18-P3-S
  • Coenzyme A, S-acetoacetate
  • S-acetoacetyl-coenzyme A
  • 1420-36-6
  • acetoacetyl-S-CoA
  • 3-ketobutanoyl-CoA
  • Q2639429
  • 9H-purin-6-amine,9-[5-O-[[[[[(3R)-4-[[3-[[2-[(1,3-dioxobutyl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphono-beta-D-ri
  • acetoacetyl-CoA
  • DB03059
  • Acetoacetyl coenzyme A
  • EINECS 215-815-9
  • GTPL3039
  • Acetoacetylcoenzyme A
  • 3-Oxobutyryl CoA
  • Acetoacetyl coenzyme A sodium salt
  • J-000542
  • C25H40N7O18P3S
  • S-Acetoacetate Coenzyme A Sodium Salt Hydrate
  • DTXSID30931292
  • 3-oxobutyroyl-CoA
  • D06CGD
  • S-Acetoacetyl-coenzym A
  • 3-acetoacetyl-Coenzyme A
  • C00332
  • Acetoacetylcoenzyme A Sodium Salt Hydrate
  • J-007581
  • bofuranosyl]-
  • 3-oxobutyryl-CoA
  • HY-N7392
  • S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 3-oxobutanethioate (non-preferred name)
  • CS-0119038
  • NS00044811
  • acetoacetyl-CoA tetraanion
  • acetoacetyl-coenzyme A(4-)
  • Acetoacetyl coenzyme A sodium salt hydrate
  • +expand
• • 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
  • InChI Key： OJFDKHTZOUZBOS-CITAKDKDSA-N
  • SMILES： S(C(CC(C)=O)=O)CCNC(CCNC([C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(=O)(O)O)O)=O)=O

Computed Properties

Experimental Properties