Chemical Compound

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

CAS Registry Number 21804-29-5
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{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid 结构式
Primary record

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

库存
8,399 克
纯度
99.1 %
CAS
21804-29-5

化合物标识与属性

CAS
21804-29-5
PubChem CID
11966146
SMILES
C[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](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)O
Canonical SMILES
C[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](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

  • (R)-3-Hydroxybutanoyl-CoA
  • hydroxy-butyryl-CoA
  • 3-OH-butyryl-CoA
  • 3-hydroxybutyryl-CoA
  • 3-hydroxybutanoyl-CoA
  • beta-hydroxybutyryl-CoA
  • RefChem:70261
  • (3R)-3-Hydroxybutanoyl-CoA
  • 3-Hydroxybutyryl-coenzyme A
  • beta-hydroxybutyryl-S-CoA
  • 3-OH-butyryl-Coenzyme A
  • hydroxy-butyryl-Coenzyme A
  • (R)-3-Hydroxybutyryl-CoA
  • (S)-3-hydroxybutanoyl-CoA
  • 3-hydroxybutanoyl-coenzyme a
  • CHEBI:15452
  • beta-Hydroxybutyryl-coenzyme A
  • SCHEMBL1404073
  • (R)-3-Hydroxybutyrylcoenzyme A
  • SCHEMBL29450523
  • SCHEMBL30430604
  • beta-hydroxybutyryl-S-Coenzyme A
  • (S)-3-hydroxybutanoyl-Coenzyme A
  • (R)-3-Hydroxybutanoyl-Coenzyme A
  • (3R)-3-Hydroxybutanoyl-Coenzyme A
  • LMFA07050148
  • S-[(R)-3-Hydroxybutyryl]coenzyme A
  • S-[(3R)-3-Hydroxybutyryl]coenzyme A
  • S-[(R)-3-Hydroxybutyryl]-coenzyme A
  • [R]-(-)-3-Hydroxybutyryl-Coenzyme A
  • CID11966146
  • J1.328.397D
  • C03561
  • Q27089441
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • S-[2-[3-[[(2R)-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] (3R)-3-hydroxybutanethioate
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • 21804-29-5
  • 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-4-((3-((2-(((3R)-3-hydroxybutanoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-[[(3R)-3-hydroxybutyryl]thio]ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-[[(R)-3-hydroxybutyryl]thio]ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester
  • S-(2-(3-(((2R)-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) (3R)-3-hydroxybutanethioate