Chemical Compound
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxobutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
CAS Registry Number
1420-36-6
Primary record
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxobutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 库存
- 2,519 克
- 纯度
- 98.8 %
- CAS
- 1420-36-6
化合物标识与属性
- CAS
- 1420-36-6
- PubChem CID
- 439214
- SMILES
- CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
- Canonical SMILES
- CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
名称与同义词
- Acetoacetyl coa
- acetoacetyl-CoA
- acetoacetyl-coenzyme a
- Acetoacetyl coenzyme A
- S-Acetoacetylcoenzyme A
- s-acetoacetyl coenzyme a
- AC1L96WE
- Coenzyme A S-(3-oxobutanoate)
- SCHEMBL13461662
- C25H40N7O18P3S
- EINECS 215-815-9
- CID439214
- C25-H40-N7-O18-P3-S
- Acetoacetyl coenzyme A sodium salt hydrate
- J298.605A
- 1420-36-6
- S-[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]ethyl] 3-oxobutanethioate
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxobutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 5 -O-[[[(5,9-Diaza-3-hydroxy-2,2-dimethyl-4,8,13,15-tetraoxo-12-thiahexadecan)-1-yl]phosphono]phosphono]adenosine-3 -phosphoric acid