CHEBI:34554 - Batrachotoxin

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ChEBI Name Batrachotoxin
ChEBI ID CHEBI:34554
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H42N2O6
Net Charge 0
Average Mass 538.676
Monoisotopic Mass 538.30429
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
SMILES C[C@@H](OC(=O)c1c(C)c[nH]c1C)C1=CC[C@@]23OCCN(C)C[C@@]12C[C@@H](O)[C@]12O[C@@]4(O)CC[C@@]1(C)[C@H](CC=C32)C4
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
C00027919 KNApSAcK
C13750 KEGG COMPOUND
View more database links
Registry Number Type Source
23509-16-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014