Chemical Compound
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((3R)-3-((2-((2-((2-((2Z)-2,3-dihydrooxepin-2-ylidene)acetyl)sulfanyl)ethyl)carbamoyl)ethyl)carbamoyl)-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxyoxolan-3-yl)oxy)phosphonic acid
Primary record
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((3R)-3-((2-((2-((2-((2Z)-2,3-dihydrooxepin-2-ylidene)acetyl)sulfanyl)ethyl)carbamoyl)ethyl)carbamoyl)-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-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
- 46926227
- 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)/C=C\4/CC=CC=CO4)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)/C=C1/CC=CC=CO1
名称与同义词
- oxepin-CoA
- RefChem:88894
- 2-oxepin-2(3H)-ylideneacetyl-CoA
- CHEBI:63251
- SCHEMBL30648433
- C19975
- Q27132518
- 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[oxepin-2(3H)-ylideneacetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
- (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((3R)-3-((2-((2-((2-((2Z)-2,3-dihydrooxepin-2-ylidene)acetyl)sulfanyl)ethyl)carbamoyl)ethyl)carbamoyl)-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxyoxolan-3-yl)oxy)phosphonic acid
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-({2-[(2Z)-2,3-dihydrooxepin-2-ylidene]acetyl}sulfanyl)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-((oxepin-2(3H)-ylideneacetyl)sulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)