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CHEBI:218509 - Antillatoxin B

ChEBI IDCHEBI:218509
ChEBI NameAntillatoxin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H47N3O5
Net Charge0
Average Mass565.755
Monoisotopic Mass565.35157
SMILESC=C1CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](CCc2ccccc2)C(=O)NCC(=O)O[C@@H](/C(C)=C/C(C)=C/C(C)(C)C)[C@@H]1C
InChIInChI=1S/C33H47N3O5/c1-21(19-33(6,7)8)17-23(3)30-24(4)22(2)18-28(37)35-25(5)32(40)36(9)27(31(39)34-20-29(38)41-30)16-15-26-13-11-10-12-14-26/h10-14,17,19,24-25,27,30H,2,15-16,18,20H2,1,3-9H3,(H,34,39)(H,35,37)/b21-19+,23-17+/t24-,25+,27+,30+/m1/s1
InChIKeyWBQWYSKGOKXFTF-OHAAWPAWSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (11473443)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Antillatoxin B (CHEBI:218509) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(6S,9S,14R,15R)-7,9,14-trimethyl-13-methylidene-6-(2-phenylethyl)-15-[(2E,4E)-4,6,6-trimethylhepta-2,4-dien-2-yl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone
Manual XrefsDatabases
8160989ChemSpider