Chemical Compound

~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-Aminopurin-9-Yl)-4-Oxidanyl-3-Phosphonooxy-Oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-Oxidanyl-Phosphoryl]oxy-3,3-Dimethyl-2-Oxidanyl-Butanoyl]amino]propanoylamino]ethyl] (~{e})-Dodec-2-Enethioate

CAS Registry Number 1066-12-2
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~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-Aminopurin-9-Yl)-4-Oxidanyl-3-Phosphonooxy-Oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-Oxidanyl-Phosphoryl]oxy-3,3-Dimethyl-2-Oxidanyl-Butanoyl]amino]propanoylamino]ethyl] (~{e})-Dodec-2-Enethioate 结构式
Primary record

~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-Aminopurin-9-Yl)-4-Oxidanyl-3-Phosphonooxy-Oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-Oxidanyl-Phosphoryl]oxy-3,3-Dimethyl-2-Oxidanyl-Butanoyl]amino]propanoylamino]ethyl] (~{e})-Dodec-2-Enethioate

库存
4,051 克
纯度
98.1 %
CAS
1066-12-2

化合物标识与属性

CAS
1066-12-2
PubChem CID
11966110
SMILES
CCCCCCCCC/C=C/C(=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
Canonical SMILES
CCCCCCCCC/C=C/C(=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

  • trans-Dodec-2-enoyl-CoA
  • 2E-dodecenoyl-CoA
  • 2-trans-Dodecenoyl-CoA
  • Dodec-2-trans-enoyl-CoA
  • 2-trans-Dodecenoyl-Co A
  • (2E)-Dodecenoyl-CoA
  • starbld0014583
  • RefChem:1100269
  • (2E)-Dodec-2-enoyl-CoA
  • CHEBI:15471
  • SCHEMBL1331291
  • Coenzyme A, S-(2E)-2-dodecenoate
  • LMFA07050176
  • CID11966110
  • C03221
  • D5661
  • 1066-12-2
  • Q27089455
  • 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-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] (E)-dodec-2-enethioate
  • ~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-Aminopurin-9-Yl)-4-Oxidanyl-3-Phosphonooxy-Oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-Oxidanyl-Phosphoryl]oxy-3,3-Dimethyl-2-Oxidanyl-Butanoyl]amino]propanoylamino]ethyl] (~{e})-Dodec-2-Enethioate
  • 3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-(((2E)-dodec-2-enoyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-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) (E)-dodec-2-enethioate