Account Coenzyme A, S-(hydrogen 3-hydroxy-3-methyl pentanedioate), diSodium salt
- Catalog No. :
- ACPEPM482
- CAS No. :
- 103476-21-7
- Molecular Formula :
- C27H42N7Na2O20P3S
- Molecular Weight :
- 955.63
IUPAC Name:sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((3R)-4-((3-((2-((4-carboxy-3-hydroxy-3-methylbutanoyl)thio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate
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Product Information
| Product Name | Coenzyme A, S-(hydrogen 3-hydroxy-3-methyl pentanedioate), diSodium salt |
|---|---|
| IUPAC Name | sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((3R)-4-((3-((2-((4-carboxy-3-hydroxy-3-methylbutanoyl)thio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate |
| Molecular Formula | C27H42N7Na2O20P3S |
| Molecular Weight | 955.63 |
| SMILES | O[C@@H]1[C@@H]([C@H](O[C@@]1([H])N2C=NC3=C(N=CN=C23)N)COP(O)(OP(O)(OCC([C@@H](O)C(NCCC(NCCSC(CC(CC(O)=O)(O)C)=O)=O)=O)(C)C)=O)=O)OP([O-])([O-])=O.[Na+].[Na+] |
| InChI Key | XCMQYNRDGHLEPX-FZFZRPSRSA-L |
| Synonym | Coenzyme A, S-(hydrogen3-hydroxy-3-methyl pentanedioate), disodium salt (9CI);(DL-3-Hydroxy-3-methylglutaryl)-coenzyme A disodium salt trihydrate,HMG-CoA;DL-3-Hydroxy-3-methylglutaryl coenzymeA sodium salt,HMG-CoA;Coenzyme A S-(hydrogen 3-hydroxy-3-methyl pentanedioate) disodium salt;DL-3-Hydroxy-3-methylglutaryl coenzyme A sodium salt hydrate;DL-3-Hydroxy-3-methylglutaryl coenzyme A trisodium salt;XCMQYNRDGHLEPX-FZFZRPSRSA-L;DL-3-Hydrxy-3-methylglutaryl-coenzym A Natriumsalz |
| CAS No. | 103476-21-7 |
Synthetic Route by SureRoute
2. ACPEPM482 Molecular Building Block Synthetic Route
HMG-CoA
(3S)-5-((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)thio)-3-hydroxy-3-methyl-5-oxopentanoic acid
6-((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)thio)-4-hydroxy-6-oxohexanoic acid