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CHEBI:227658 - 2,3-seco-2,3-dioxo-lyngbyatoxin A

ChEBI IDCHEBI:227658
ChEBI Name2,3-seco-2,3-dioxo-lyngbyatoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39N3O4
Net Charge0
Average Mass469.626
Monoisotopic Mass469.29406
SMILESC=C[C@@](C)(CCC=C(C)C)c1ccc2c(c1NC=O)C(=O)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C27H39N3O4/c1-8-27(6,13-9-10-17(2)3)20-11-12-21-23(24(20)28-16-32)22(33)14-19(15-31)29-26(34)25(18(4)5)30(21)7/h8,10-12,16,18-19,25,31H,1,9,13-15H2,2-7H3,(H,28,32)(H,29,34)/t19-,25-,27-/m0/s1
InChIKeyJYUKIYQJAAZEOB-BYGVMDBSSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (25421266)
ChEBI Ontology
Outgoing Relation(s)
2,3-seco-2,3-dioxo-lyngbyatoxin A (CHEBI:227658) is a amino acid amide (CHEBI:22475)
IUPAC Name 
N-[(2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-3,7-dioxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazonin-8-yl]ormamide
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35516830ChemSpider