CHEBI:80716 - aplysiatoxin

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ChEBI Name aplysiatoxin
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C32H47BrO10
Net Charge 0
Average Mass 671.614
Monoisotopic Mass 670.23526
InChI InChI=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
SMILES [C@@]123O[C@]([C@H](C)CC1(C)C)(CC(O[C@@]([C@@H](C)O)(CC(OC(C2)[C@H](C)[C@](O3)([C@H](CC[C@@H](C=4C(=CC=C(C4)O)Br)OC)C)[H])=O)[H])=O)O
Metabolite of Species Details
Stylocheilus longicauda (NCBI:txid114761) See: PubMed
Moorea producens (NCBI:txid1155739) See: PubMed
Trichodesmium erythraeum (NCBI:txid1206) See: PubMed
Lyngbya majuscula (NCBI:txid158786) See: PubMed
Gracilaria coronopifolia (NCBI:txid439548) See: PubMed
Roles Classification
Biological Role(s): 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.
Any toxin produced by cyanobacteria (blue-green algae).
protein kinase C agonist
An agonist that selectively binds to and activates a protein kinase C receptor
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(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[,5]octadecane-7,11-dione IUPAC
Manual Xrefs Databases
Aplysiatoxin Wikipedia
View more database links
Registry Numbers Types Sources
4628307 Reaxys Registry Number Reaxys
52659-57-1 CAS Registry Number KEGG COMPOUND
52659-57-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24394406 PubMed citation Europe PMC
25421266 PubMed citation Europe PMC
3924698 PubMed citation Europe PMC
4833645 PubMed citation Europe PMC
6299522 PubMed citation Europe PMC
6299973 PubMed citation Europe PMC
6316505 PubMed citation Europe PMC
6400920 PubMed citation Europe PMC
8843576 PubMed citation Europe PMC
Last Modified
02 December 2019