ursodeoxycholic acid

Summary

ursodeoxycholic acid is a group of stereoisomers^[1].

Key Facts

• ursodeoxycholic acid's instance of is recorded as group of stereoisomers^[2].
• ursodeoxycholic acid's canonical SMILES is recorded as O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C^[3].
• ursodeoxycholic acid's InChI is recorded as InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)^[4].
• ursodeoxycholic acid's InChIKey is recorded as RUDATBOHQWOJDD-UHFFFAOYSA-N^[5].
• ursodeoxycholic acid's chemical formula is recorded as C₂₄H₄₀O₄^[6].
• ursodeoxycholic acid's subclass of is recorded as cholanoid^[7].
• ursodeoxycholic acid's PubChem CID is recorded as 5645^[8].
• ursodeoxycholic acid's found in taxon is recorded as Greylag Goose^[9].
• ursodeoxycholic acid's Human Metabolome Database ID is recorded as HMDB0246080^[10].
• ursodeoxycholic acid's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+392.29265976'}^[11].
• ursodeoxycholic acid's SureChEMBL ID is recorded as 14845504^[12].
• ursodeoxycholic acid's MassBank accession ID is recorded as MSBNK-Washington_State_Univ-BML00990^[13].
• ursodeoxycholic acid's MassBank accession ID is recorded as MSBNK-Washington_State_Univ-BML00998^[14].
• ursodeoxycholic acid's MassBank accession ID is recorded as MSBNK-Washington_State_Univ-BML01006^[15].
• ursodeoxycholic acid's MassBank accession ID is recorded as MSBNK-Washington_State_Univ-BML80915^[16].
• ursodeoxycholic acid's MassBank accession ID is recorded as MSBNK-Washington_State_Univ-BML80916^[17].
• ursodeoxycholic acid's MassBank accession ID is recorded as MSBNK-Washington_State_Univ-BML80918^[18].
• ursodeoxycholic acid's NMRShiftDB structure ID is recorded as 10009059^[19].
• ursodeoxycholic acid's UniChem compound ID is recorded as 23045714^[20].
• ursodeoxycholic acid's Probes And Drugs ID is recorded as PD055478^[21].