Chemical Compound
{[(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-{[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
CAS Registry Number
105567-78-0
Primary record
{[(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-{[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 库存
- 1,845 克
- 纯度
- 99.8 %
- CAS
- 105567-78-0
化合物标识与属性
- CAS
- 105567-78-0
- PubChem CID
- 15991543
- SMILES
- C[C@H](C1=CC=C(C=C1)CC(C)C)C(=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
- CC(C)Cc1ccc([C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc1
名称与同义词
- (R)-Ibuprofenyl CoA
- (R)-Ibuprofen-CoA thioester
- (R)-Ibuprofenoyl-Coenzyme A
- orb3022171
- RFC; (Acyl-CoA); [M+H]+;
- J541.897F
- S-[(R)-2-[4-(2-Methylpropyl)phenyl]propanoyl]coenzyme A
- {[(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-{[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
- 105567-78-0
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-[(R)-2-[4-(2-methylpropyl)phenyl]propanoylthio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
- Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-4-[[3-[[2-[[(R)-2-[4-(2-methylpropyl)phenyl]propionyl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]] ester
- RFC