Name: β-Methylcrotonyl coenzyme A lithium
Rating: 5 (10 reviews)

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HIT ID:HIT220913772
Cas No:
常用名:β-Methylcrotonyl coenzyme A lithium
常用名:β-Methylcrotonyl coenzyme A lithium
IUPAC:lithium(1+) (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-methylbut-2-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl hydrogen phosphate
IUPAC:lithium(1+) (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-methylbut-2-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl hydrogen phosphate
InChI key:InChIKey=MAXQTELPVXNFOD-WADKRTIVSA-M

分子式:C26H41LiN7O17P3S
分子量:855.57
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Li+].CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)([O-])=O)n1cnc2c(N)ncnc12
SMILES:[Li+].CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)([O-])=O)n1cnc2c(N)ncnc12

β-Methylcrotonyl coenzyme A lithium，作为亮氨酸代谢的中间体，可用于研究β-甲基巴豆酰辅酶 A 羧化酶（MCCase）的特异性及动力学，用作底物。

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