EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211182 - Cladospamide A

ChEBI IDCHEBI:211182
ChEBI NameCladospamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20N2O4
Net Charge0
Average Mass268.313
Monoisotopic Mass268.14231
SMILESCC(=O)N[C@H]1CCCNC(=O)/C=C(/C)CCOC1=O
InChIInChI=1S/C13H20N2O4/c1-9-5-7-19-13(18)11(15-10(2)16)4-3-6-14-12(17)8-9/h8,11H,3-7H2,1-2H3,(H,14,17)(H,15,16)/b9-8-/t11-/m0/s1
InChIKeyPFZSUEHMJHTMIM-IQQGHNRFSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (31226284)
ChEBI Ontology
Outgoing Relation(s)
Cladospamide A (CHEBI:211182) is a azamacrocycle (CHEBI:52898)
Cladospamide A (CHEBI:211182) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
N-[(3S,9Z)-10-methyl-2,8-dioxo-1-oxa-7-azacyclododec-9-en-3-yl]acetamide
Manual XrefsDatabases
77001595ChemSpider