Name: DL-3-Hydroxy-3-methylglutaryl coenzyme A disodium hydrate
Rating: 5 (10 reviews)

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HIT ID:HIT219590307
Cas No:103476-21-7
常用名:DL-3-Hydroxy-3-methylglutaryl coenzyme A disodium hydrate
常用名:DL-3-Hydroxy-3-methylglutaryl coenzyme A disodium hydrate
别名:DL-3-羟基-3-甲戊二酰辅酶A二钠水合物
IUPAC:disodium (3R)-3-{[2-({2-[(4-carboxy-3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropyl ({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate
IUPAC:disodium (3R)-3-{[2-({2-[(4-carboxy-3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropyl ({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate
InChI key:XCMQYNRDGHLEPX-FZFZRPSRSA-L

分子式:C27H42N7Na2O20P3S
分子量:955.62
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].CC(O)(CC(O)=O)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:[Na+].[Na+].CC(O)(CC(O)=O)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

DL-3-Hydroxy-3-methylglutaryl coenzyme A disodium hydrate 是 HMG 辅酶 A 的二钠盐，是合成萜烯和酮体的关键中间体。DL-3-Hydroxy-3-methylglutaryl coenzyme A disodium 在体内参与酯类代谢，并作为胆固醇合成的前体，可与LDL受体耦连以调节胆固醇合成。

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