CHEBI:204360 - Antillatoxin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Antillatoxin
ChEBI ID CHEBI:204360
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H45N3O5
Net Charge 0
Average Mass 503.684
Monoisotopic Mass 503.33592
InChI InChI=1S/C28H45N3O5/c1-16(2)24-26(34)29-15-23(33)36-25(19(5)12-17(3)14-28(8,9)10)20(6)18(4)13-22(32)30-21(7)27(35)31(24)11/h12,14,16,20-21,24-25H,4,13,15H2,1-3,5-11H3,(H,29,34)(H,30,32)/b17-14+,19-12+/t20-,21+,24+,25+/m1/s1
InChIKey WNMROEVYEZDXEL-OITYILOZSA-N
SMILES O=C1N([C@H](C(=O)NCC(=O)O[C@H]([C@@H](C(CC(N[C@H]1C)=O)=C)C)/C(=C/C(=C/C(C)(C)C)/C)/C)C(C)C)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Antillatoxin (CHEBI:204360) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(6S,9S,14R,15R)-7,9,14-trimethyl-13-methylidene-6-propan-2-yl-15-[(2E,4E)-4,6,6-trimethylhepta-2,4-dien-2-yl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone
Manual Xref Database
8227389 ChemSpider
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