Account Phenylacetyl CoA
- Catalog No. :
- ACOGEW556
- CAS No. :
- 7532-39-0
- Molecular Formula :
- C29H42N7O17P3S
- Molecular Weight :
- 885.68
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) 2-phenylethanethioate
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Product Information
| Product Name | Phenylacetyl CoA |
|---|---|
| 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) 2-phenylethanethioate |
| Molecular Formula | C29H42N7O17P3S |
| Molecular Weight | 885.68 |
| SMILES | O=C(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)CC4=CC=CC=C4 |
| InChI Key | ZIGIFDRJFZYEEQ-CECATXLMSA-N |
| Synonym | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(2-phenylacetyl)sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid;Phenylacetyl-CoA;phenylacetyl-coenzyme A;Adenosine 3'-phosphoric acid 5'-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(phenylacetylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester;Coenzyme A, S-(benzeneacetate) |
| CAS No. | 7532-39-0 |
Synthetic Route by SureRoute
2. ACOGEW556 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) (E)-3-phenylprop-2-enethioate
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