EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:232270 - asparaginoursodeoxycholic acid
| Formula | C28H46N2O6 |
| Net Charge | 0 |
| Average Mass | 506.684 |
| Monoisotopic Mass | 506.33559 |
| SMILES | C[C@H](CCC(=O)N[C@@H](CC(N)=O)C(=O)O)[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 |
| InChI | InChI=1S/C28H46N2O6/c1-15(4-7-24(34)30-21(26(35)36)14-23(29)33)18-5-6-19-25-20(9-11-28(18,19)3)27(2)10-8-17(31)12-16(27)13-22(25)32/h15-22,25,31-32H,4-14H2,1-3H3,(H2,29,33)(H,30,34)(H,35,36)/t15-,16+,17-,18-,19+,20+,21+,22+,25+,27+,28-/m1/s1 |
| InChIKey | CHFOVLMTXSAFKC-AIWLQGPISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| asparaginoursodeoxycholic acid (CHEBI:232270) is a organic molecular entity (CHEBI:50860) |