Antillatoxin (CHEBI:204360)

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CHEBI:204360 - Antillatoxin

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ChEBI ID	CHEBI:204360
ChEBI Name	Antillatoxin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H45N3O5
Net Charge	0
Average Mass	503.684
Monoisotopic Mass	503.33592
SMILES	C=C1CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)NCC(=O)O[C@@H](/C(C)=C/C(C)=C/C(C)(C)C)[C@@H]1C
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

Species of Metabolite	Component	Source	Comments
Lyngbya majuscula (ncbitaxon:158786)	-	DOI (10.1021/ja00136a031)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
8227389	ChemSpider