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CHEBI:232206 - methioninochenodeoxycholic acid
| Formula | C29H49NO5S |
| Net Charge | 0 |
| Average Mass | 523.780 |
| Monoisotopic Mass | 523.33314 |
| SMILES | CSCC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O |
| InChI | InChI=1S/C29H49NO5S/c1-17(5-8-25(33)30-23(27(34)35)11-14-36-4)20-6-7-21-26-22(10-13-29(20,21)3)28(2)12-9-19(31)15-18(28)16-24(26)32/h17-24,26,31-32H,5-16H2,1-4H3,(H,30,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23+,24-,26+,28+,29-/m1/s1 |
| InChIKey | CDNGTOVFEUSMMG-YPGVXHCWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methioninochenodeoxycholic acid (CHEBI:232206) is a organic molecular entity (CHEBI:50860) |