Account Coenzyme A, S-decanoate triammonium salt
- Catalog No. :
- ACADCG536
- CAS No. :
- 799812-83-2
- Molecular Formula :
- C31H63N10O17P3S
- Molecular Weight :
- 972.89
IUPAC Name:ammonium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(decanoylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate
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Product Information
| Product Name | Coenzyme A, S-decanoate triammonium salt |
|---|---|
| IUPAC Name | ammonium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(decanoylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate |
| Molecular Formula | C31H63N10O17P3S |
| Molecular Weight | 972.89 |
| SMILES | O[C@@H]1[C@H](OP(O)([O-])=O)[C@@H](COP([O-])(OP([O-])(OCC(C)(C)[C@H](C(NCCC(NCCSC(CCCCCCCCC)=O)=O)=O)O)=O)=O)O[C@]1(N2C=NC3=C(N)N=CN=C23)[H].[NH4+].[NH4+].[NH4+] |
| InChI Key | IWPPTKRPCYMCQM-MEOYAKFISA-N |
| Synonym | decanoyl CoenzyMe A (aMMoniuM salt);10:0 Coenzyme A;DECANOYL COENZYME A (AMMONIUM SALT);10:0 COENZYME A;S-decanoate-CoA,triammoniumsalt |
| CAS No. | 799812-83-2 |
| PubChem CID | 145710022 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACADCG536 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