MetaADEDB 2.0 @ LMMD
palytoxin
(CWODDUGJZSCNGB-HQNRRURTSA-N)
Structure
SMILES
OCCCNC(=O)/C=C/NC(=O)[C@H]([C@@H](C[C@H](/C=C(/[C@H]([C@H](C[C@H]1O[C@H]([C@H]([C@@H]([C@H]([C@H]([C@@H](CCCCC[C@@H](C[C@H]2O[C@]3(O[C@]2(C)C[C@@H](C3)C)CCCCCCC[C@@H](C[C@H]2O[C@@](O)(C[C@@H]([C@H](/C=C/[C@H](CC[C@H]([C@H]([C@@H]3C[C@@H](O)[C@@H]([C@H](O3)C[C@H]([C@@H](C[C@H]3O[C@@H](C[C@@H](/C=C\C=C\C[C@H]([C@@H]([C@@H](C/C=C\C(=C)CC[C@@H]([C@H]([C@@H]([C@@H](C[C@H]4O[C@H](/C=C\[C@H]([C@@H](C[C@@H]5C[C@@H]6C[C@H](O5)[C@H](O6)CC[C@H]5O[C@@H](C[C@H]5O)CN)O)O)[C@H]([C@@H]([C@H]4O)O)O)C)O)O)O)O)O)O)O)[C@@H]([C@H]([C@@H]3O)O)O)O)O)O)O)O)O)C)O)[C@@H]([C@@H]([C@H]2O)O)O)O)C)O)O)O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O)O)\C)O)C)O
Molecular Formula:
C129H223N3O54
Molecular Weight:
2680.140
Log P:
-7.1575
Hydrogen Bond Acceptor:
57
Hydrogen Bond Donor:
45
TPSA:
1026.18
CAS Number(s):
11077-03-5; 77734-91-9
Synonym(s)
1.
palytoxin
External Link(s)
MeSHC010272
PubChem Compound11105289
ChEBI146207
KEGGcpd:C16851
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Heart Diseases1364106CTD
2Poisoning21728342CTD
3Respiration Disorders19766704CTD
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