EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:232241 - 7-oxotyrosinolithocholic acid
| Formula | C33H47NO6 |
| Net Charge | 0 |
| Average Mass | 553.740 |
| Monoisotopic Mass | 553.34034 |
| SMILES | C[C@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChI | InChI=1S/C33H47NO6/c1-19(4-11-29(38)34-27(31(39)40)16-20-5-7-22(35)8-6-20)24-9-10-25-30-26(13-15-33(24,25)3)32(2)14-12-23(36)17-21(32)18-28(30)37/h5-8,19,21,23-27,30,35-36H,4,9-18H2,1-3H3,(H,34,38)(H,39,40)/t19-,21+,23-,24-,25+,26+,27+,30+,32+,33-/m1/s1 |
| InChIKey | LWXJIPCJPNUQKO-SHABMYLESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-oxotyrosinolithocholic acid (CHEBI:232241) is a organic molecular entity (CHEBI:50860) |