Account Acetyl coenzyme A trilithium
- Catalog No. :
- ACGNLD225
- CAS No. :
- 75520-41-1
- Molecular Formula :
- C23H35Li3N7O17P3S
- Molecular Weight :
- 827.38
IUPAC Name:lithium (2R,3S,4R,5R)-2-(((((((R)-4-((3-((2-(acetylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate
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Product Information
| Product Name | Acetyl coenzyme A trilithium |
|---|---|
| IUPAC Name | lithium (2R,3S,4R,5R)-2-(((((((R)-4-((3-((2-(acetylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate |
| Molecular Formula | C23H35Li3N7O17P3S |
| Molecular Weight | 827.38 |
| SMILES | CC(SCCNC(CCNC([C@H](O)C(C)(C)COP([O-])(OP([O-])(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1OP([O-])(O)=O)=O)=O)=O)=O)=O.[Li+].[Li+].[Li+] |
| InChI Key | FTRFBNATWBKIQU-JHJDYNLLSA-K |
| Synonym | DTXSID70585056 | trilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] hydrogen phosphate | |
| CAS No. | 75520-41-1 |
| PubChem CID | 16218870 |
Synthetic Route by SureRoute
2. ACGNLD225 Molecular Building Block Synthetic Route
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) ethanethioate, lithium salt (1:x)
Acetylcoenzymeasodiumsalt
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) ethanethioate