Preferred Name |
debromoaplysiatoxin |
|
Synonyms |
17-debromoaplysiatoxin (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[11.3.1.1(1,5)]octadecane-7,11-dione |
|
Definitions |
A 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. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_4344 |
|
charge |
0 |
|
database_cross_reference |
PMID:18585400 PMID:686747 KNApSAcK:C00046713 PMID:16222795 PMID:6299973 PMID:6316505 PMID:24394406 KEGG:C05148 PMID:8843576 Reaxys:4624539 PMID:23803585 CAS:52423-28-6 PMID:6400920 PMID:6233970 PMID:7751319 PMID:403608 PMID:25421266 PMID:6299522 PMID:3924698 |
|
definition |
A 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. |
|
formula |
C32H48O10 |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
17-debromoaplysiatoxin (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[11.3.1.1(1,5)]octadecane-7,11-dione |
|
id |
CHEBI:4344 |
|
in_subset | ||
inchi |
InChI=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 |
|
inchikey |
REAZZDPREXHWNV-BUNNSNHRSA-N |
|
label |
debromoaplysiatoxin |
|
mass |
592.719 |
|
monoisotopicmass |
592.32475 |
|
notation |
CHEBI:4344 |
|
prefLabel |
debromoaplysiatoxin |
|
RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_64018 http://purl.obolibrary.org/obo/CHEBI_76507 http://purl.obolibrary.org/obo/CHEBI_50903 |
|
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)OC)C)[H])=O)[H])=O)O |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_59780 http://purl.obolibrary.org/obo/CHEBI_33853 http://purl.obolibrary.org/obo/CHEBI_26979 http://purl.obolibrary.org/obo/CHEBI_25698 http://purl.obolibrary.org/obo/CHEBI_35681 |