Account Octadecanoyl coenzyme A
- Catalog No. :
- ACCODC995
- CAS No. :
- 362-66-3
- Molecular Formula :
- C39H70N7O17P3S
- Molecular Weight :
- 1034.01
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) octadecanethioate
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Product Information
| Product Name | Octadecanoyl 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) octadecanethioate |
| MDL No. | MFCD00079568 |
| Molecular Formula | C39H70N7O17P3S |
| Molecular Weight | 1034.01 |
| SMILES | CCCCCCCCCCCCCCCCCC(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 |
| InChI Key | SIARJEKBADXQJG-LFZQUHGESA-N |
| Synonym | C00412;coenzyme A stearoyl derivative, monohydrate;Adenosine 3'-phosphoric acid 5'-[diphosphoric acid β-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-(stearoylthio)ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester;Adenosine 3'-phosphoric acid 5'-[diphosphoric acid β-[(R)-3-hydroxy-4-[[3-[[2-(octadecanoylthio)ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]] ester;Stearoyl-coa (N-C18:0coa);Stearyl coenzyme a;Stearyl-coa;N-OCTADECANOYL COENZYME A |
| CAS No. | 362-66-3 |
Synthetic Route by SureRoute
2. ACCODC995 Molecular Building Block Synthetic Route
Myristoyl coenzyme A
Coenzyme A, S-dodecanoate, 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) tetradecanethioate xlithium salt