EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204288 - Laingolide B

ChEBI IDCHEBI:204288
ChEBI NameLaingolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34ClNO2
Net Charge0
Average Mass367.961
Monoisotopic Mass367.22781
SMILESCC1CCCC/C(=C\Cl)CC(C(C)(C)C)CC(=O)CC=CN(C)C1=O
InChIInChI=1S/C21H34ClNO2/c1-16-9-6-7-10-17(15-22)13-18(21(2,3)4)14-19(24)11-8-12-23(5)20(16)25/h8,12,15-16,18H,6-7,9-11,13-14H2,1-5H3/b12-8?,17-15+
InChIKeyPEHOQRLZZGCHCP-GVAVQDNSSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - PubMed (20704304)
ChEBI Ontology
Outgoing Relation(s)
Laingolide B (CHEBI:204288) is a azamacrocycle (CHEBI:52898)
Laingolide B (CHEBI:204288) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(8E)-10-tert-butyl-8-(chloromethylidene)-1,3-dimethyl-1-azacyclopentadec-14-ene-2,12-dione