Chemical Compound

s-{(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-3|E5,5|E5-diphosphaheptadecan-17-yl}(2-methylphenyl)ethanethioate(non-preferred name)

CAS Registry Number 124924-91-0
返回搜索 申请报价
s-{(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-3|E5,5|E5-diphosphaheptadecan-17-yl}(2-methylphenyl)ethanethioate(non-preferred name) 结构式
Primary record

s-{(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-3|E5,5|E5-diphosphaheptadecan-17-yl}(2-methylphenyl)ethanethioate(non-preferred name)

库存
8,913 克
纯度
98.3 %
CAS
124924-91-0

化合物标识与属性

CAS
124924-91-0
PubChem CID
195419
SMILES
CC1=CC=CC=C1CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O
Canonical SMILES
Cc1ccccc1CC(=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

  • 2-Tolylacetyl-coa
  • o-Tolylacetyl-coenzyme A
  • 2-Tolylacetyl-coenzyme A
  • Coenzyme A, 2-tolylacetyl-
  • AC1L4ZZA
  • RefChem:910276
  • orb3022284
  • CTK4B4113
  • DTXSID70924966
  • AR-1L3768
  • CID195419
  • 124924-91-0
  • Coenzyme A,S-(2-methylbenzeneacetate) (9CI)
  • 2-Tolylacetyl-CoA; (Acyl-CoA); [M+H]+;
  • 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] 2-(2-methylphenyl)ethanethioate
  • 1468-27-5
  • 5'-O-[({[(3R)-3,4-Dihydroxy-4-({3-hydroxy-3-[(2-{[(2-methylphenyl)acetyl]sulfanyl}ethyl)imino]propyl}imino)-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
  • 5-Heptenoic acid,7-(3-(3-hydroxy-4-(4-(iodo-125I)phenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)hept-2-yl)-,(1S-(1alpha,2alpha(Z),3beta(1E,3S*),4alpha))
  • 9-{5-O-[({[3,4-Dihydroxy-4-({3-hydroxy-3-[(2-{[(2-methylphenyl)acetyl]sulfanyl}ethyl)imino]propyl}imino)-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
  • s-{(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-3|E5,5|E5-diphosphaheptadecan-17-yl}(2-methylphenyl)ethanethioate(non-preferred name)