Chemical Compound

S-{(9R,13S,15S)-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} ethanethioate (non-preferred name)

CAS Registry Number 72-89-9
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S-{(9R,13S,15S)-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} ethanethioate (non-preferred name) 结构式
Primary record

S-{(9R,13S,15S)-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} ethanethioate (non-preferred name)

库存
4,965 克
纯度
98.6 %
CAS
72-89-9

化合物标识与属性

CAS
72-89-9
PubChem CID
444493
SMILES
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)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

  • acetyl-CoA
  • ACETYL COENZYME A
  • Acetyl CoA
  • S-Acetyl coenzyme A
  • AcCoA
  • S-acetyl-CoA
  • Coenzyme A, S-acetate
  • acetylCoA
  • acetylcoenzyme-A
  • S-acetyl-coenzyme A
  • acetyl coenzyme *a
  • S-Acetylcoenzyme A
  • acetyl-S-CoA
  • CoA, Acetyl
  • ac-CoA
  • ac-Coenzyme A
  • acetyl coenzyme-A
  • Coenzyme A, Acetyl
  • S-acetate CoA
  • S-acetyl CoA
  • S-acetylcoenzym A
  • ac-S-CoA
  • ac-S-Coenzyme A
  • Acetyl CoALi3
  • Acetyl-Coenzyme A
  • 72-89-9
  • acetyl-S-Coenzyme A
  • S-acetate Coenzyme A
  • RefChem:388765
  • 76Q83YLO3O
  • UNII-76Q83YLO3O
  • CHEBI:15351
  • D01AWE
  • AC1L9GF7
  • DTXSID30992686
  • SCHEMBL6086
  • CHEMBL1230809
  • Acetyl coenzyme A sodium salt
  • C23H38N7O17P3S
  • ZSLZBFCDCINBPY-ZSJPKINUSA-N
  • GTPL3038
  • orb1983445
  • EINECS 200-790-9
  • MeSH ID: D000105
  • BDBM213238
  • DTXCID401768019
  • MOLI001840
  • ACETYL COENZYME A TRILITHIUM SALT TRIHYDRATE
  • ZINC8551095
  • BDBM50541870
  • CID444493
  • EX-A11961
  • LMFA07050281
  • MSK160178
  • AKOS025311419
  • CID:444493
  • EA65397
  • C23-H38-N7-O17-P3-S
  • SID:53790249
  • DB-074639
  • HY-114293
  • CS-0081944
  • NS00016933
  • J1.124.268E
  • C00024
  • 11C-Acetylcoenzyme-A; (Acyl-CoA); [M+H]+;
  • 12-Hydroxy Taurolithocholic Acid Sulfate Disodium Salt
  • 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] ethanethioate
  • 117136-EP2274983A1
  • 117136-EP2298776A1
  • D000105
  • Q715317
  • 496948-93-7
  • 66874-07-5
  • 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
  • ACO
  • (((2R,3S,4R,5R)-2-(((((((3R)-3-((2-((2-(acetylsulfanyl)ethyl)carbamoyl)ethyl)carbamoyl)-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl)oxy)phosphonic acid
  • {[(2R,3S,4R,5R)-2-({[({[(3R)-3-[(2-{[2-(acetylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • 102029-73-2
  • 200-790-9
  • 3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-(acetylsulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)
  • 9H-purin-6-amine,9-[5-O-[[[[[(3R)-4-[[3-[[2-(acetylthio)ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphono-beta-D-ribofuranosy
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-2,2-dimethyl-3-hydroxy-4-oxo-4-[[3-oxo-3-[[2-(acetylthio)ethyl]amino]propyl]amino]butyl]] ester
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[(R)-3-hydroxy-2,2-dimethyl-3-[[2-[[2-(acetylthio)ethyl]carbamoyl]ethyl]carbamoyl]propyl]] ester
  • l]-
  • 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) ethanethioate
  • 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] ethanethioate
  • 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} ethanethioate
  • S-{(9R,13S,15S)-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} ethanethioate (non-preferred name)