Name: Chenodeoxycholic Acid 24-Acyl-β-D-Glucuronide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT218832851
Cas No:
常用名:Chenodeoxycholic Acid 24-Acyl-β-D-Glucuronide
常用名:Chenodeoxycholic Acid 24-Acyl-β-D-Glucuronide
别名:CDCA-24G
IUPAC:6-[(4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC:6-[(4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI key:ZTJBLIAPAIPNJE-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)OC1OC(C(O)C(O)C1O)C(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
SMILES:CC(CCC(=O)OC1OC(C(O)C(O)C1O)C(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

Chenodeoxycholic acid 24-acyl-β-D-glucuronide (CDCA-24G), a metabolite of CDCA, is synthesized from CDCA via the action of the UDP-glucuronosyltransferase (UG UT) isoform UGT1A3.

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