EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:34554 - Batrachotoxin
| Formula | C31H42N2O6 |
| Net Charge | 0 |
| Average Mass | 538.685 |
| Monoisotopic Mass | 538.30429 |
| SMILES | [H][C@]12CC=C3[C@@]45CC=C([C@@]([H])(C)OC(=O)c6c(C)cnc6C)[C@]4(C[C@@H](O)[C@@]34O[C@@](O)(CC[C@@]14C)C2)CN(C)CCO5 |
| InChI | InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21-,24-,27+,28+,29-,30+,31+/m1/s1 |
| InChIKey | ISNYUQWBWALXEY-WVLWVZDSSA-N |
| Roles Classification |
|---|
| Biological Roles: | toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. neurotoxin A poison that interferes with the functions of the nervous system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Batrachotoxin (CHEBI:34554) has role neurotoxin (CHEBI:50910) |
| Batrachotoxin (CHEBI:34554) has role toxin (CHEBI:27026) |
| Batrachotoxin (CHEBI:34554) is a steroid (CHEBI:35341) |
| Synonym | Source |
|---|---|
| Batrachotoxin | KEGG COMPOUND |