CHEBI:219905 - 26-carboxylyngbyatoxin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 26-carboxylyngbyatoxin A
ChEBI ID CHEBI:219905
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H37N3O4
Net Charge 0
Average Mass 467.610
Monoisotopic Mass 467.27841
InChI InChI=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
InChIKey OGEVXSGZCJIXOY-ZLAQPCIMSA-N
SMILES O=C1N[C@@H](CC2=CNC=3C2=C(N([C@H]1C(C)C)C)C=CC3[C@@](C=C)(CC/C=C(/C(=O)O)\C)C)CO
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78442424 ChemSpider
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