Name: Chenodeoxycholic Acid 3-Glucuronide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT218832820
Cas No:
常用名:Chenodeoxycholic Acid 3-Glucuronide
常用名:Chenodeoxycholic Acid 3-Glucuronide
别名:CDCA-3G
IUPAC:6-{[1-(4-carboxybutan-2-yl)-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC:6-{[1-(4-carboxybutan-2-yl)-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI key:GDNGOAUIUTXUES-UHFFFAOYSA-N

分子式:C30H48O10
分子量:568.704
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(CCC4(C)C3CCC12C)OC1OC(C(O)C(O)C1O)C(O)=O
SMILES:CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(CCC4(C)C3CCC12C)OC1OC(C(O)C(O)C1O)C(O)=O

Chenodeoxycholic acid 3-glucuronide (CDCA-3G), a metabolite of Chenodeoxycholic acid (CDCA), is synthesized in human liver microsomes.

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