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CHEBI:219905 - 26-carboxylyngbyatoxin A

ChEBI IDCHEBI:219905
ChEBI Name26-carboxylyngbyatoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37N3O4
Net Charge0
Average Mass467.610
Monoisotopic Mass467.27841
SMILESC=C[C@@](C)(CC/C=C(\C)C(=O)O)c1ccc2c3c(cnc13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C27H37N3O4/c1-7-27(5,12-8-9-17(4)26(33)34)20-10-11-21-22-18(14-28-23(20)22)13-19(15-31)29-25(32)24(16(2)3)30(21)6/h7,9-11,14,16,19,24,28,31H,1,8,12-13,15H2,2-6H3,(H,29,32)(H,33,34)/b17-9+/t19-,24-,27-/m0/s1
InChIKeyOGEVXSGZCJIXOY-ZLAQPCIMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27194569)
ChEBI Ontology
Outgoing Relation(s)
26-carboxylyngbyatoxin A (CHEBI:219905) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2E,6R)-6-[(10S,13S)-13-(hydroxymethyl)-9-methyl-11-oxo-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-5-yl]-2,6-dimethylocta-2,7-dienoic acid
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