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CHEBI:227070 - 2-oxo-3(R)-hydroxy-lyngbyatoxin A

ChEBI IDCHEBI:227070
ChEBI Name2-oxo-3(R)-hydroxy-lyngbyatoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39N3O4
Net Charge0
Average Mass469.626
Monoisotopic Mass469.29406
SMILESC=C[C@@](C)(CCC=C(C)C)c1ccc2c3c1NC(=O)[C@@]3(O)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C27H39N3O4/c1-8-26(6,13-9-10-16(2)3)19-11-12-20-21-22(19)29-25(33)27(21,34)14-18(15-31)28-24(32)23(17(4)5)30(20)7/h8,10-12,17-18,23,31,34H,1,9,13-15H2,2-7H3,(H,28,32)(H,29,33)/t18-,23-,26-,27+/m0/s1
InChIKeyAKAPGGFVVBCFAJ-RFERPQLCSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (25470181)
ChEBI Ontology
Outgoing Relation(s)
2-oxo-3(R)-hydroxy-lyngbyatoxin A (CHEBI:227070) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(1R,10S,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-1-hydroxy-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-4,6,8(15)-triene-2,11-dione
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34981383ChemSpider