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

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结构编辑

类似物检索

HIT ID:HIT218615660
Cas No:1264-45-5
常用名:Methylmalonyl-CoA
别名:甲基丙二酰辅酶A, Methylmalonyl coenzyme A, Isosuccinyl coenzyme A
别名:甲基丙二酰辅酶A, Methylmalonyl coenzyme A, Isosuccinyl coenzyme A
IUPAC:3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-methyl-3-oxopropanoic acid
IUPAC:3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-methyl-3-oxopropanoic acid
InChI key:MZFOKIKEPGUZEN-FBMOWMAESA-N

分子式:C25H40N7O19P3S
分子量:867.61
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES: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: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 coenzyme A (Methylmalonyl-CoA) 是单链脂肪酸、胆固醇以及某些氨基酸（例如缬氨酸、异亮氨酸、蛋氨酸、苏氨酸）分解后的产物。通过甲基丙二酸单酰辅酶 A 变位酶 (MCM) 和其辅酶维生素 B12，Methylmalonyl coenzyme A 可以被催化转化为琥珀酰辅酶 A。

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