EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C29H49NO5 |
| Net Charge | 0 |
| Average Mass | 491.713 |
| Monoisotopic Mass | 491.36107 |
| SMILES | CC(C)[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/C29H49NO5/c1-16(2)26(27(34)35)30-24(33)9-6-17(3)20-7-8-21-25-22(11-13-29(20,21)5)28(4)12-10-19(31)14-18(28)15-23(25)32/h16-23,25-26,31-32H,6-15H2,1-5H3,(H,30,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23-,25+,26+,28+,29-/m1/s1 |
| InChIKey | DWKUILAFNXKAFN-VBPAPOGFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| valinochenodeoxycholic acid (CHEBI:232207) is a organic molecular entity (CHEBI:50860) |