Chemical Compound

S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} cyclohexa-1,5-diene-1-carbothioate (non-preferred name)

CAS Registry Number 148471-94-7
返回搜索 申请报价
S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} cyclohexa-1,5-diene-1-carbothioate (non-preferred name) 结构式
Primary record

S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} cyclohexa-1,5-diene-1-carbothioate (non-preferred name)

库存
3,902 克
纯度
99.4 %
CAS
148471-94-7

化合物标识与属性

CAS
148471-94-7
PubChem CID
9543186
SMILES
CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O
Canonical SMILES
CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCC=C1

名称与同义词

  • 1-monoenoyl-CoA
  • 1,5 Dienoyl-Coa
  • Cyclohexa-1,5-diene-1-carbonyl-CoA
  • cyclohex-1,5-dienecarbonyl-CoA
  • cyclohex-1,5-dienecarboxyl-CoA
  • Cyclohexa-1,5-dienecarbonyl-CoA
  • cyclohex-1,5-diene-1-carbonyl-CoA
  • Cyclohex-1,5-diene-1-carboxyl-CoA
  • RefChem:1082102
  • CHEBI:15520
  • SCHEMBL166898
  • orb3022215
  • 1,5-Cyclohexadienylcarbonyl CoA
  • c0212
  • cyclohexa-1,5-diene-1-carboxyl-CoA
  • LMFA07050310
  • cyclohexa-1,5-diene-1-carbonyl-coenzymeA
  • S-1,5-Cyclohexadiene-1-carboxylate coenzymeA
  • CID9543186
  • Cyclohexadiene-1-carboxylate coenzyme a
  • J979.010A
  • C06322
  • Coenzyme A S-1,5-cyclohexadiene-1-carboxylate
  • S-[(Cyclohexa-1,5-dienyl)carbonyl]coenzyme A
  • S-1,5-Cyclohexadiene-1-carboxylate coenzyme A
  • 148471-94-7
  • Q27098075
  • cyclohex-1,5-dienecarbonyl-CoA; (Acyl-CoA); [M+H]+;
  • 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexa-1,5-diene-1-carbonyl)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] cyclohexa-1,5-diene-1-carbothioate
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(cyclohexa-1,5-diene-1-carbonylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • 3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-((cyclohexa-1,5-diene-1-carbonyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)
  • 4KW
  • 4KX
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-4-[[3-[[2-[(1,5-cyclohexadienylcarbonyl)thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]] ester
  • S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} cyclohexa-1,5-diene-1-carbothioate (non-preferred name)