Account Coenzyme A, S-(3-oxohexadecanoate)
- Catalog No. :
- ACDBWC042
- CAS No. :
- 34619-89-1
- Molecular Formula :
- C37H64N7O18P3S
- Molecular Weight :
- 1019.94
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) 3-oxohexadecanethioate
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Product Information
| Product Name | Coenzyme A, S-(3-oxohexadecanoate) |
|---|---|
| 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) 3-oxohexadecanethioate |
| Molecular Formula | C37H64N7O18P3S |
| Molecular Weight | 1019.94 |
| SMILES | O[C@H]1[C@](O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CC(CCCCCCCCCCCCC)=O)=O)=O)=O)(O)=O)(O)=O)([H])N2C3=NC=NC(N)=C3N=C2 |
| InChI Key | NQMPLXPCRJOSHL-BBECNAHFSA-N |
| Synonym | beta-ketohexadecanoyl-coenzyme A;3-Ketopalmitoyl-CoA;Coenzyme A, S-(3-oxohexadecanoate);3-Oxopalmitoyl-CoA;3-oxohexadecanoicacidcoenzymeAthioester |
| CAS No. | 34619-89-1 |
Synthetic Route by SureRoute
2. ACDBWC042 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) 3-oxobutanethioate
5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-((((((3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-((3-oxodocosa-7,10,13,16,19-pentaenoyl)thio)ethyl)amino)propyl)amino)butoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)tetrahydrofuran-3-yl phosphate
Palmitoylcoenzymeapotassiumsalt