Account 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
- Catalog No. :
- ACUEOM417
- CAS No. :
- 18198-76-0
- Molecular Formula :
- C37H64N7O17P3S
- Molecular Weight :
- 1003.94
IUPAC Name: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
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| MDL No. | MFCD00079261 |
| Molecular Formula | C37H64N7O17P3S |
| Molecular Weight | 1003.94 |
| SMILES | CCCCCC/C=C/CCCCCCCC(SCCNC(CCNC(C(O)C(C)(C)COP(O)(OP(O)(OCC1OC(N2C=NC3=C(N)N=CN=C23)C(O)C1OP(O)(O)=O)=O)=O)=O)=O)=O |
| InChI Key | QBYOCCWNZAOZTL-MDZDMXLPSA-N |
| Synonym | LMFA07050359 | C21072 | Tris-hydroxymethyl-aminomethan | (Z)-thio-9-Hexadecenoic acid | 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-hexadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} | |
| CAS No. | 18198-76-0 |
| PubChem CID | 25244394 |
Synthetic Route by SureRoute
2. ACUEOM417 Molecular Building Block Synthetic Route
Coenzyme A, S-(9Z)-9-hexadecenoate, ammonium salt (1:3)
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
Coenzyme A, S-(15Z)-15-tetracosenoate, triammonium salt