Name: Methylmalonyl-CoA tetralithium
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218848443
Cas No:104809-02-1
常用名:Methylmalonyl-CoA tetralithium
别名:Methylmalonyl coenzyme tetralithium, Isosuccinyl coenzyme A tetralithium
别名:Methylmalonyl coenzyme tetralithium, Isosuccinyl coenzyme A tetralithium
IUPAC:tetralithium(1+) 3-[(2-{3-[(2R)-4-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-(hydrogen phosphonatooxy)-4-hydroxyoxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}-2-hydroxy-3,3-dimethylbutanamido]propanamido}ethyl)sulfanyl]-2-methyl-3-oxopropanoate
IUPAC:tetralithium(1+) 3-[(2-{3-[(2R)-4-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-(hydrogen phosphonatooxy)-4-hydroxyoxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}-2-hydroxy-3,3-dimethylbutanamido]propanamido}ethyl)sulfanyl]-2-methyl-3-oxopropanoate
InChI key:ZLQXXVFNCXYYOI-CWDFXRSBSA-J

分子式:C25H36Li4N7O19P3S
分子量:891.33
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Li+].[Li+].[Li+].[Li+].CC(C([O-])=O)C(=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+].[Li+].[Li+].[Li+].CC(C([O-])=O)C(=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

Methylmalonyl-CoA tetralithium 是由单链脂肪酸、胆固醇及部分氨基酸（如缬氨酸、异亮氨酸、蛋氨酸、苏氨酸）分解而成的产物。该化合物通过MCM(Methylmalonyl-CoA mutase)和其辅酶维生素 B12 的催化作用转化为琥珀酰辅酶 A。

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