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CHEBI:4344 - debromoaplysiatoxin

ChEBI IDCHEBI:4344
ChEBI Namedebromoaplysiatoxin
Stars
DefinitionA member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is lacking the bromo substituent on the benzene ring at the position para to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs.
Last Modified30 September 2015
DownloadsMolfile
FormulaC32H48O10
Net Charge0
Average Mass592.726
Monoisotopic Mass592.32475
SMILES[H][C@]1([C@@H](C)CC[C@H](OC)c2cccc(O)c2)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/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/m0/s1
InChIKeyREAZZDPREXHWNV-BUNNSNHRSA-N
Species of MetaboliteComponentSourceComments
Trichodesmium erythraeum (ncbitaxon:1206) - PubMed (24394406)
Lyngbya majuscula (ncbitaxon:158786) - PubMed (3924698)
Moorea producens (ncbitaxon:1155739) - PubMed (25421266)
Gracilaria coronopifolia (ncbitaxon:439548) - PubMed (8843576)
Stylocheilus longicauda (ncbitaxon:114761) - PubMed (4833645)
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)
debromoaplysiatoxin (CHEBI:4344) has role algal metabolite (CHEBI:84735)
debromoaplysiatoxin (CHEBI:4344) has role carcinogenic agent (CHEBI:50903)
debromoaplysiatoxin (CHEBI:4344) has role cyanotoxin (CHEBI:88048)
debromoaplysiatoxin (CHEBI:4344) has role marine metabolite (CHEBI:76507)
debromoaplysiatoxin (CHEBI:4344) has role protein kinase C agonist (CHEBI:64018)
debromoaplysiatoxin (CHEBI:4344) is a aplysiatoxins (CHEBI:88051)
debromoaplysiatoxin (CHEBI:4344) is a cyclic hemiketal (CHEBI:59780)
debromoaplysiatoxin (CHEBI:4344) is a ether (CHEBI:25698)
debromoaplysiatoxin (CHEBI:4344) is a organic heterotricyclic compound (CHEBI:26979)
debromoaplysiatoxin (CHEBI:4344) is a phenols (CHEBI:33853)
debromoaplysiatoxin (CHEBI:4344) is a secondary alcohol (CHEBI:35681)
debromoaplysiatoxin (CHEBI:4344) is a spiroketal (CHEBI:72600)
Synonyms  Source
17-debromoaplysiatoxinChEBI
(1S,3R,4S,9R,13S,14R)-13-hydroxy-9-[(1R)-1-hydroxyethyl]-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dioneIUPAC
Manual XrefsDatabases
C05148KEGG COMPOUND
C00046713KNApSAcK
Registry NumbersSources
Reaxys:4624539Reaxys
CAS:52423-28-6KEGG COMPOUND
CAS:52423-28-6ChemIDplus
Citations