CHEBI:142397 - pectenotoxin-11

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pectenotoxin-11
ChEBI ID CHEBI:142397
Definition A cyclic polyether isolated from the toxic dinoflagellate Dinophysis acuta.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C47H70O15
Net Charge 0
Average Mass 875.052
Monoisotopic Mass 874.47147
InChI InChI=1S/C47H70O15/c1-25-10-11-31-37(35(49)40(55-31)47(53)38(50)27(3)14-20-54-47)56-41(52)28(4)30-9-8-15-45(57-30)17-12-32(58-45)39(51)44(7)23-29(48)36(61-44)33-24-43(6)18-19-46(59-33,62-43)34-13-16-42(5,60-34)22-26(2)21-25/h10-11,21,26-28,30-40,49-51,53H,8-9,12-20,22-24H2,1-7H3/b11-10+,25-21+/t26-,27+,28+,30-,31+,32-,33+,34+,35-,36-,37-,38+,39-,40-,42+,43-,44+,45+,46-,47-/m0/s1
InChIKey ASJMRRUHURWTNM-NCWQDUMVSA-N
SMILES [C@@]123O[C@@](CC1)(C[C@@H](O2)[C@H]4O[C@@]([C@H]([C@H]5O[C@]6(CCC[C@@H]([C@H](C(O[C@@H]7[C@@H]([C@@H]([C@]8(OCC[C@H]([C@H]8O)C)O)O[C@@]7(C=CC(=C[C@@H](C[C@@]9(O[C@@H]3CC9)C)C)C)[H])O)=O)C)O6)CC5)O)(CC4=O)C)C
Metabolite of Species Details
Dinophysis acuta (NCBI:txid150597) See: PubMed
Roles Classification
Biological Role(s): toxin
Poisonous substance produced by a biological organism such as a microbe, animal or plant.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pectenotoxin-11 (CHEBI:142397) has role toxin (CHEBI:27026)
pectenotoxin-11 (CHEBI:142397) is a polyether (CHEBI:46774)
IUPAC Name
(1S,2R,5R,7R,8E,10E,12R,14S,15S,16R,19R,20S,24R,27S,28S,29R,32R,33R,35S)-14-[(2S,3R,4R)-2,3-dihydroxy-4-methyloxan-2-yl]-15,28-dihydroxy-5,7,9,19,29,35-hexamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-18,31-dione
Synonyms Sources
(1S,2R,5R,7R,8E,10E,12R,14S,15S,16R,19R,20S,24R,27S,28S,29R,32R,33R,35S)-14-[(2S,3R,4R)-2,3-dihydroxy-4-methyltetrahydro-2H-pyran-2-yl]-15,28-dihydroxy-5,7,9,19,29,35-hexamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-18,31-dione IUPAC
(34S)-hydroxypectenotoxin-2 ChEBI
pectenotoxin 11 ChEBI
PTX11 ChEBI
Citations Waiting for Citations Types Sources
16485908 PubMed citation Europe PMC
18926841 PubMed citation Europe PMC
28648727 PubMed citation Europe PMC
Last Modified
08 October 2018