Account 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) (Z)-octadec-9-enethioate
- Catalog No. :
- ACTDSP184
- CAS No. :
- 1716-06-9
- Molecular Formula :
- C39H68N7O17P3S
- Molecular Weight :
- 1031.99
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) (Z)-octadec-9-enethioate
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Product Information
| Product 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) (Z)-octadec-9-enethioate |
|---|---|
| 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) (Z)-octadec-9-enethioate |
| Molecular Formula | C39H68N7O17P3S |
| Molecular Weight | 1031.99 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O |
| InChI Key | XDUHQPOXLUAVEE-BPMMELMSSA-N |
| Synonym | CIS-9-OCTADECENOYL COENZYME A;CIS-9-OCTADECENOYL COENZYME A POTASSIUM SALT;OLEOYL COENZYME A POTASSIUM SALT;OLEOYL COENZYME A;S-oleoylcoenzyme A;coenzyme A oleoyl derivative, dihydrate;Adenosine 3'-phosphoric acid 5'-[diphosphoric acid P2-[(R)-3-hydroxy-4-[[3-[[2-[(Z)-9-octadecenoylthio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]] ester;Coenzyme A (Z)-S-9-octadecenoate |
| CAS No. | 1716-06-9 |
Synthetic Route by SureRoute
2. ACTDSP184 Molecular Building Block Synthetic Route
Coenzyme A, S-(9Z)-9-hexadecenoate, ammonium salt (1:3)
S-(2-(3-(4-((((((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)-hexadec-9-enethioate
Coenzyme A, S-(15Z)-15-tetracosenoate, triammonium salt