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CHEBI:232232 - 7-oxoaspartylolithocholic acid
| Formula | C30H50N4O5 |
| Net Charge | 0 |
| Average Mass | 546.753 |
| Monoisotopic Mass | 546.37812 |
| SMILES | C[C@H](CCC(=O)N[C@@H](CCCNC(=N)N)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/C30H50N4O5/c1-17(6-9-25(37)34-23(27(38)39)5-4-14-33-28(31)32)20-7-8-21-26-22(11-13-30(20,21)3)29(2)12-10-19(35)15-18(29)16-24(26)36/h17-23,26,35H,4-16H2,1-3H3,(H,34,37)(H,38,39)(H4,31,32,33)/t17-,18+,19-,20-,21+,22+,23+,26+,29+,30-/m1/s1 |
| InChIKey | YWQDRKXDBJOVKB-BXNYNJFOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-oxoaspartylolithocholic acid (CHEBI:232232) is a organic molecular entity (CHEBI:50860) |