Chemical Compound

S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 3-oxobutanethioate (non-preferred name)

CAS Registry Number 1420-36-6
返回搜索 申请报价
S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 3-oxobutanethioate (non-preferred name) 结构式
Primary record

S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 3-oxobutanethioate (non-preferred name)

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
92153
SMILES
CC(=O)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
Canonical SMILES
CC(=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

  • acetoacetyl-CoA
  • Acetoacetyl coa
  • Acetoacetyl coenzyme A
  • 3-acetoacetyl-CoA
  • acetoacetyl-coenzyme a
  • S-Acetoacetyl-CoA
  • S-Acetoacetylcoenzyme A
  • bofuranosyl]-
  • 1dub
  • Acetoacetylcoenzyme A
  • 3-oxobutyryl-CoA
  • acetoacetyl-S-CoA
  • 3-Oxobutyryl CoA
  • 3-oxobutanoyl-CoA
  • 3-oxobutyroyl-CoA
  • S-acetoacetyl-coenzyme A
  • 3-ketobutanoyl-CoA
  • 3-ketobutyroyl-CoA
  • s-acetoacetyl coenzyme a
  • S-Acetoacetate Coenzyme A
  • 1420-36-6
  • Coenzyme A, S-(3-oxobutanoate)
  • S-Acetoacetyl-coenzym A
  • 3-oxobutyryl-Coenzyme A
  • Coenzyme A, S-acetoacetate
  • AC1Q5CFV
  • RefChem:552369
  • 3-acetoacetyl-Coenzyme A
  • D06CGD
  • AC1L3NJ4
  • 3-hydroxybutanoyl-coenzyme a
  • SCHEMBL60436
  • CHEBI:15345
  • C25H40N7O18P3S
  • DTXSID30931292
  • OJFDKHTZOUZBOS-CITAKDKDSA-N
  • GTPL3039
  • orb2939677
  • EINECS 215-815-9
  • 1420-36-6 (free acid)
  • OJFDKHTZOUZBOS-DIZBISSHNA-N
  • CID92153
  • HY-N7392
  • AR-1L3942
  • c0229
  • CID:92153
  • ZINC96014521
  • Acetoacetyl coenzyme A sodium salt hydrate
  • DB03059
  • Acetoacetylcoenzyme A Sodium Salt Hydrate
  • BB061188
  • C25-H40-N7-O18-P3-S
  • FA168511
  • S-Acetoacetate Coenzyme A Sodium Salt Hydrate
  • acetoacetyl-CoA; (Acyl-CoA); [M+H]+;
  • SID:249815184
  • J670.888I
  • CS-0119038
  • NS00044811
  • C00332
  • C010667
  • Acetoacetyl Coenzyme A Sodium Salt Hydrate (>90%)
  • Q2639429
  • 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] 3-oxobutanethioate
  • CAA
  • S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)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
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-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
  • 14357-07-4
  • 215-815-9
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxobutanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
  • 3HC
  • 9H-purin-6-amine,9-[5-O-[[[[[(3R)-4-[[3-[[2-[(1,3-dioxobutyl)thio]ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphono-beta-D-ri
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-(acetoacetylthio)ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-4-[[3-[[2-[(1,3-dioxobutyl)thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]] 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) 3-oxobutanethioate
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate
  • S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-oxobutanethioate
  • S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 3-oxobutanethioate (non-preferred name)