EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203200 - Pandangolide 4

ChEBI IDCHEBI:203200
ChEBI NamePandangolide 4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O8S
Net Charge0
Average Mass486.627
Monoisotopic Mass486.22874
SMILESCC1CCCCCC(O)C(=O)C(SC2CC(=O)OC(C)CCCCCC(O)C2=O)CC(=O)O1
InChIInChI=1S/C24H38O8S/c1-15-9-5-3-7-11-17(25)23(29)19(13-21(27)31-15)33-20-14-22(28)32-16(2)10-6-4-8-12-18(26)24(20)30/h15-20,25-26H,3-14H2,1-2H3
InChIKeyNUPJXSWNOKBNII-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cladosporium herbarum (ncbitaxon:29918) - DOI (10.1021/np000401s)
ChEBI Ontology
Outgoing Relation(s)
Pandangolide 4 (CHEBI:203200) is a macrolide (CHEBI:25106)
IUPAC Name 
6-hydroxy-4-[(6-hydroxy-12-methyl-2,5-dioxo-oxacyclododec-4-yl)sulanyl]-12-methyl-oxacyclododecane-2,5-dione
Manual XrefsDatabases
8966432ChemSpider