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CHEBI:80716 - aplysiatoxin

ChEBI IDCHEBI:80716
ChEBI Nameaplysiatoxin
Stars
DefinitionThe parent member of the class of aplysiatoxins. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs.
Last Modified2 December 2019
DownloadsMolfile
FormulaC32H47BrO10
Net Charge0
Average Mass671.622
Monoisotopic Mass670.23526
SMILES[H][C@]1([C@@H](C)CC[C@H](OC)c2cc(O)ccc2Br)O[C@@]23CC(OC(=O)C[C@]([H])([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C
InChIInChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26?,29+,31-,32-/m0/s1
InChIKeyRHJPBGWFGOAEID-FAXOFGCBSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Gracilaria coronopifolia (ncbitaxon:439548) - PubMed (8843576)
Trichodesmium erythraeum (ncbitaxon:1206) - PubMed (24394406)
Moorea producens (ncbitaxon:1155739) - PubMed (25421266)
Stylocheilus longicauda (ncbitaxon:114761) - PubMed (4833645)
Lyngbya majuscula (ncbitaxon:158786) - PubMed (3924698)
Roles Classification
Biological Roles:
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
protein kinase C agonist  An agonist that selectively binds to and activates a protein kinase C receptor
cyanotoxin  Any toxin produced by cyanobacteria (blue-green algae).
ChEBI Ontology
Outgoing Relation(s)
aplysiatoxin (CHEBI:80716) has role algal metabolite (CHEBI:84735)
aplysiatoxin (CHEBI:80716) has role carcinogenic agent (CHEBI:50903)
aplysiatoxin (CHEBI:80716) has role cyanotoxin (CHEBI:88048)
aplysiatoxin (CHEBI:80716) has role marine metabolite (CHEBI:76507)
aplysiatoxin (CHEBI:80716) has role protein kinase C agonist (CHEBI:64018)
aplysiatoxin (CHEBI:80716) is a aplysiatoxins (CHEBI:88051)
aplysiatoxin (CHEBI:80716) is a bromophenol (CHEBI:33624)
aplysiatoxin (CHEBI:80716) is a cyclic hemiketal (CHEBI:59780)
aplysiatoxin (CHEBI:80716) is a ether (CHEBI:25698)
aplysiatoxin (CHEBI:80716) is a organic heterotricyclic compound (CHEBI:26979)
aplysiatoxin (CHEBI:80716) is a secondary alcohol (CHEBI:35681)
aplysiatoxin (CHEBI:80716) is a spiroketal (CHEBI:72600)
Synonyms  Source
ATXChEBI
(1S,3R,4S,9R,13S,14R)-3-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dioneIUPAC
Manual XrefsDatabases
C16769KEGG COMPOUND
AplysiatoxinWikipedia
Registry NumbersSources
Reaxys:4628307Reaxys
CAS:52659-57-1KEGG COMPOUND
CAS:52659-57-1ChemIDplus
Citations