<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">2579</id>
  <title>T3D2538</title>
  <common-name>beta-Bungarotoxin</common-name>
  <description>beta-Bungarotoxin is a peptide toxin produced by the Many-banded krait (Bungarus multicinctus). It is a neurotoxin and acts at the presynaptic terminal, where it causes release of acetylcholine and subsequent exhaustion of acetylcholine stores in the nerve terminal. (L1091)</description>
  <cas>12778-32-4</cas>
  <pubchem-id>2432</pubchem-id>
  <chemical-formula nil="true"/>
  <weight>9571.019999999997</weight>
  <appearance>Clear solution.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>&gt;10 mg/mL</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Injection (sting/bite) (L1814)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>beta-Bungarotoxin acts at the presynaptic terminal, where it causes release of acetylcholine and subsequent exhaustion of acetylcholine stores in the nerve terminal by binding to proteins, most commonly actin. It can also block voltage-gated potassium channels. (T170, L1091, A317)</mechanism-of-toxicity>
  <metabolism>Free toxin may be removed by opsonization via the reticuloendothelial system (primarily the liver and kidneys) or it may be degraded through cellular internalization via the lysosomes. Lysosomes are membrane-enclosed organelles that contain an array of digestive enzymes, including several proteases.</metabolism>
  <toxicity>LD50: 0.108 mg/kg (Subcutaneous, Mouse) (L1830)
LD50: 0.113 mg/kg (Intravenous, Mouse) (L1830)
LD50: 0.08 (Intraperitoneal, Mouse) (L1830)</toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>beta-Bungarotoxin is a peptide toxin produced by the Many-banded krait (Bungarus multicinctus). (L1091)</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Many-banded krait bites can cause paralysis, respiratory failure and death. (L1089)</health-effects>
  <symptoms>Many-banded krait bites can cause paralysis, respiratory failure and death. (L1089)</symptoms>
  <treatment>An antivenom exists for Many-banded krait venom. (L1044)</treatment>
  <created-at type="dateTime">2009-07-03T22:19:16Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:25:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id>P00987</uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id>beta-Bungarotoxin</stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1CC2OC3CC4OC(=O)C=C(C)C4OC3(C)CC2OC2CCC3(C)OC4(C)CC5OC6CC7OC8(C)C(O)CC(CC(=C)C=O)OC8CC7OC6C=CCC5(C)OC4CC3OC12</moldb-smiles>
  <moldb-formula>C50H70O14</moldb-formula>
  <moldb-inchi>InChI=1/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3</moldb-inchi>
  <moldb-inchikey>InChIKey=LYTCVQQGCSNFJU-UHFFFAOYNA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">895.0824</moldb-average-mass>
  <moldb-mono-mass type="decimal">894.476556948</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>2338</chemspider-id>
  <structure-image-file-name>1bun_bio_r_500.jpg</structure-image-file-name>
  <structure-image-content-type>image/jpeg</structure-image-content-type>
  <structure-image-file-size type="integer">25039</structure-image-file-size>
  <structure-image-updated-at type="dateTime">2014-10-14T18:13:09Z</structure-image-updated-at>
  <biodb-id>BSEQ0008457</biodb-id>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
