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CHEBI:188705 - Lyngbyatoxin C

Default Structure
ChEBI IDCHEBI:188705
ChEBI NameLyngbyatoxin C
Stars
Last Modified8 July 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39N3O3
Net Charge0
Average Mass453.627
Monoisotopic Mass453.29914
SMILESC=C[C@@](C)(C/C=C/C(C)(C)O)c1ccc2c3c(cnc13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C27H39N3O3/c1-8-27(6,13-9-12-26(4,5)33)20-10-11-21-22-18(15-28-23(20)22)14-19(16-31)29-25(32)24(17(2)3)30(21)7/h8-12,15,17,19,24,28,31,33H,1,13-14,16H2,2-7H3,(H,29,32)/b12-9+/t19-,24-,27-/m0/s1
InChIKeyVMLLPMJDAXPWAA-PIKNDIPASA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Lyngbyatoxin C (CHEBI:188705) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(10S,13S)-5-[(3R,5E)-7-hydroxy-3,7-dimethylocta-1,5-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
UniProt Name  Source
lyngbyatoxin CUniProt
Manual XrefsDatabases
4945436ChemSpider
Registry NumbersSources
CAS:133084-53-4ChemIDplus