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CHEBI:756293 - cofisatin
| Formula | C68H79NO11 |
| Net Charge | 0 |
| Average Mass | 1086.376 |
| Monoisotopic Mass | 1085.56531 |
| SMILES | [H][C@]12CC(=O)[C@]3(C)[C@@H](C(C)CCC(=O)Oc4ccc(C5(c6ccc(OC(=O)CCC(C)[C@H]7CC[C@@]8([H])[C@]9([H])C(=O)CC%10CC(=O)CC[C@]%10(C)[C@@]9([H])CC(=O)[C@]78C)cc6)C(=O)Nc6ccccc65)cc4)CC[C@@]3([H])[C@]1([H])C(=O)CC1CC(=O)CC[C@@]12C |
| InChI | InChI=1S/C68H79NO11/c1-37(47-21-23-50-61-52(35-57(74)66(47,50)5)64(3)29-27-43(70)31-41(64)33-55(61)72)11-25-59(76)79-45-17-13-39(14-18-45)68(49-9-7-8-10-54(49)69-63(68)78)40-15-19-46(20-16-40)80-60(77)26-12-38(2)48-22-24-51-62-53(36-58(75)67(48,51)6)65(4)30-28-44(71)32-42(65)34-56(62)73/h7-10,13-20,37-38,41-42,47-48,50-53,61-62H,11-12,21-36H2,1-6H3,(H,69,78)/t37?,38?,41?,42?,47-,48-,50+,51+,52+,53+,61+,62+,64+,65+,66-,67-,68?/m1/s1 |
| InChIKey | LKJGKLIBASNLKR-NILNNKIFSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cofisatin (CHEBI:756293) is a bile acid (CHEBI:3098) |
| INNs | Source |
|---|---|
| cofisatin | WHO MedNet |
| cofisatina | WHO MedNet |
| cofisatine | WHO MedNet |