Account Butanoyl CoenzyMe A
- Catalog No. :
- ACMPTS673
- CAS No. :
- 2140-48-9
- Molecular Formula :
- C25H42N7O17P3S
- Molecular Weight :
- 837.63
IUPAC Name: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) butanethioate
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Product Information
| Product Name | Butanoyl CoenzyMe A |
|---|---|
| IUPAC Name | 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) butanethioate |
| Molecular Formula | C25H42N7O17P3S |
| Molecular Weight | 837.63 |
| SMILES | NC1=C2C(N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)(OP(OCC([C@@H](O)C(NCCC(NCCSC(CCC)=O)=O)=O)(C)C)(O)=O)=O)OP(O)(O)=O)O)=NC=N1 |
| InChI Key | CRFNGMNYKDXRTN-CITAKDKDSA-N |
| Synonym | [5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid;Butyryl-CoA;Adenosine 3'-phosphoric acid 5'-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(butyrylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester;Coenzyme A, S-butanoate;Butyryl-CoA-sodium-salt;butanoyl Coenzyme A;Butyryl-Coenzyme A Na-Salt |
| CAS No. | 2140-48-9 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACMPTS673 Molecular Building Block Synthetic Route
lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(butyrylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate
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-methylbutanethioate
DL-3- hydroxybutyryl coenzyme A lithium salt