Primary Record
acetoacetyl-CoA
- In stock
- 2,519 g
- Purity
- 98.8 %
- CAS
- 1420-36-6
Compound Identifiers & Properties
- CAS
- 1420-36-6
- PubChem CID
- 92153
- SMILES
- CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
- Canonical SMILES
- 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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
Names & Synonyms
- acetoacetyl-CoA
- Acetoacetyl coa
- Acetoacetyl coenzyme A
- 3-acetoacetyl-CoA
- acetoacetyl-coenzyme a
- S-Acetoacetyl-CoA
- S-Acetoacetylcoenzyme A
- bofuranosyl]-
- 1dub
- Acetoacetylcoenzyme A
- 3-oxobutyryl-CoA
- acetoacetyl-S-CoA
- 3-Oxobutyryl CoA
- 3-oxobutanoyl-CoA
- 3-oxobutyroyl-CoA
- S-acetoacetyl-coenzyme A
- 3-ketobutanoyl-CoA
- 3-ketobutyroyl-CoA
- s-acetoacetyl coenzyme a
- S-Acetoacetate Coenzyme A
- 1420-36-6
- Coenzyme A, S-(3-oxobutanoate)
- S-Acetoacetyl-coenzym A
- 3-oxobutyryl-Coenzyme A
- Coenzyme A, S-acetoacetate
- AC1Q5CFV
- RefChem:552369
- 3-acetoacetyl-Coenzyme A
- D06CGD
- AC1L3NJ4
- 3-hydroxybutanoyl-coenzyme a
- SCHEMBL60436
- CHEBI:15345
- C25H40N7O18P3S
- DTXSID30931292
- OJFDKHTZOUZBOS-CITAKDKDSA-N
- GTPL3039
- orb2939677
- EINECS 215-815-9
- 1420-36-6 (free acid)
- OJFDKHTZOUZBOS-DIZBISSHNA-N
- CID92153
- HY-N7392
- AR-1L3942
- c0229
- CID:92153
- ZINC96014521
- Acetoacetyl coenzyme A sodium salt hydrate
- DB03059
- Acetoacetylcoenzyme A Sodium Salt Hydrate
- BB061188
- C25-H40-N7-O18-P3-S
- FA168511
- S-Acetoacetate Coenzyme A Sodium Salt Hydrate
- acetoacetyl-CoA; (Acyl-CoA); [M+H]+;
- SID:249815184
- J670.888I
- CS-0119038
- NS00044811
- C00332
- C010667
- Acetoacetyl Coenzyme A Sodium Salt Hydrate (>90%)
- Q2639429
- 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
- CAA
- S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 3-oxobutanethioate
- (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy(((hydroxy(3-hydroxy-2,2-dimethyl-3-((2-((2-((3-oxobutanoyl)sulfanyl)ethyl)carbamoyl)ethyl)carbamoyl)propoxy)phosphoryl)oxy))phosphoryl)oxy)methyl)oxolan-3-yl)oxy)phosphonic acid
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxobutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 14357-07-4
- 215-815-9
- 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}
- 3HC
- 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
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-(acetoacetylthio)ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-4-[[3-[[2-[(1,3-dioxobutyl)thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]] ester
- 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-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate
- S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-oxobutanethioate
- 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)