Account Succinyl-CoA
- Catalog No. :
- ACERXL281
- CAS No. :
- 604-98-8
- Molecular Formula :
- C25H40N7O19P3S
- Molecular Weight :
- 867.61
IUPAC Name:4-((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-oxobutanoic acid
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Product Information
| Product Name | Succinyl-CoA |
|---|---|
| IUPAC Name | 4-((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-oxobutanoic acid |
| Molecular Formula | C25H40N7O19P3S |
| Molecular Weight | 867.61 |
| SMILES | O=C(NCCSC(CCC(O)=O)=O)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 |
| InChI Key | VNOYUJKHFWYWIR-ITIYDSSPSA-N |
| Synonym | S-(hydrogen succinyl)coenzyme A;4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxobutanoic acid;Succinyl-CoA;succinyl-coenzyme A;3-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]propanoic acid;Adenosine 3'-phosphoric acid 5'-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(1,4-dioxo-4-hydroxybutylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester;Adenosine 3'-phosphoric acid 5'-[diphosphoric acid β-[4-[[3-[[2-[(3-carboxypropanoyl)thio]ethyl]amino]-3-oxopropyl]amino]-4-oxo-3-hydroxy-2,2-dimethylbutyl]] ester;Coenzyme A S-(hydrogen butanedioate) |
| CAS No. | 604-98-8 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- 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. ACERXL281 Molecular Building Block Synthetic Route
xSodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-((3-carboxypropanoyl)thio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate
lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(butyrylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate
Butanoyl CoenzyMe A