Chemical Compound

{[(2R,3S,4R,5R)-2-({[({[(3R)-3-({2-[(2-{[2-({[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxyoxan-2-yl]methyl}carbamoyl)ethyl]sulfanyl}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

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{[(2R,3S,4R,5R)-2-({[({[(3R)-3-({2-[(2-{[2-({[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxyoxan-2-yl]methyl}carbamoyl)ethyl]sulfanyl}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 结构式
Primary record

{[(2R,3S,4R,5R)-2-({[({[(3R)-3-({2-[(2-{[2-({[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxyoxan-2-yl]methyl}carbamoyl)ethyl]sulfanyl}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

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
11557189
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)NCCSCCC(=O)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O)N)N)N)O)O)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)NCCSCCC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O

名称与同义词

  • CHEMBL1161855
  • CID11557189
  • CID 11557189
  • J2.254.426H
  • CID11557189; (Acyl-CoA); [M+H]+;
  • (3r,9z)-17-[(2r,3s,4r,5r,6r)-5-Amino-6-{[(1r,2r,3s,4r,6s)-4,6-Diamino-2,3-Dihydroxycyclohexyl]oxy}-3,4-Dihydroxytetrahydro-2h-Pyran-2-Yl]-3-Hydroxy-2,2-Dimethyl-4,8,15-Trioxo-12-Thia-5,9,16-Triazaheptadec-9-En-1-Yl [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate
  • {[(2R,3S,4R,5R)-2-({[({[(3R)-3-({2-[(2-{[2-({[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxyoxan-2-yl]methyl}carbamoyl)ethyl]sulfanyl}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
  • 3 -O-Phosphonoadenosine 5 -diphosphoric acid beta-[(3R)-2,2-dimethyl-3-hydroxy-3-[[2-[[2-[2-[[1-O-[(1R)-2alpha,3beta-dihydroxy-4alpha,6alpha-diaminocyclohexane-1beta-yl]-2-amino-2,6-dideoxy-alpha-D-glucopyranose-6-yl]carbamoyl]ethylthio]ethyl]carbamoyl]ethyl]carbamoyl]propyl] ester
  • BSJ