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CHEBI:227060 - 12-epi-lyngbyatoxin A

ChEBI IDCHEBI:227060
ChEBI Name12-epi-lyngbyatoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39N3O2
Net Charge0
Average Mass437.628
Monoisotopic Mass437.30423
SMILESC=C[C@@](C)(CCC=C(C)C)c1ccc2c3c(cnc13)C[C@@H](CO)NC(=O)[C@@H](C(C)C)N2C
InChIInChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25+,27-/m0/s1
InChIKeyKISDGNGREAJPQR-FESMNKHTSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (24824022)
ChEBI Ontology
Outgoing Relation(s)
12-epi-lyngbyatoxin A (CHEBI:227060) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(10R,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
Manual XrefsDatabases
82808ChemSpider