EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208381 - Pladienolide A

ChEBI IDCHEBI:208381
ChEBI NamePladienolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O7
Net Charge0
Average Mass494.669
Monoisotopic Mass494.32435
SMILESCCC(O)C(C)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)CC(O)CCC(C)(O)C(O)/C=C/C1C
InChIInChI=1S/C28H46O7/c1-7-22(30)20(5)27-23(34-27)15-17(2)9-8-10-18(3)26-19(4)11-12-24(31)28(6,33)14-13-21(29)16-25(32)35-26/h8-12,17,19-24,26-27,29-31,33H,7,13-16H2,1-6H3/b9-8+,12-11+,18-10+
InChIKeyLTXWIJFJMWETHY-AEXVIOBPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15152802)
ChEBI Ontology
Outgoing Relation(s)
Pladienolide A (CHEBI:208381) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(9E)-4,7,8-trihydroxy-12-[(2E,4E)-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one
Manual XrefsDatabases
8181531ChemSpider