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CHEBI:181089 - Glycine-|A-muricholic Acid
| Formula | C26H43NO6 |
| Net Charge | 0 |
| Average Mass | 465.631 |
| Monoisotopic Mass | 465.30904 |
| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C |
| InChI | InChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31) |
| InChIKey | ZQYUKJFJPJDMMR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Glycine-|A-muricholic Acid (CHEBI:181089) is a bile acid glycine conjugate (CHEBI:36255) |
| IUPAC Name |
|---|
| 2-[4-(3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid |