loading...| Preferred Name |
debromoaplysiatoxin |
|
| Synonyms |
(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 17-debromoaplysiatoxin |
|
| 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:6233970 PMID:24394406 PMID:25421266 Reaxys:4624539 PMID:3924698 PMID:23803585 CAS:52423-28-6 PMID:6299973 PMID:6400920 PMID:6316505 PMID:6299522 PMID:18585400 KNApSAcK:C00046713 PMID:8843576 PMID:686747 KEGG:C05148 PMID:403608 PMID:16222795 PMID:7751319 |
|
| 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 role |
http://purl.obolibrary.org/obo/CHEBI_64018 http://purl.obolibrary.org/obo/CHEBI_76507 http://purl.obolibrary.org/obo/CHEBI_50903 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(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 17-debromoaplysiatoxin |
|
| 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 |
|
| 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 |
|
| treeView |
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 |
|
| 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 |