CHEBI:208381 - Pladienolide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pladienolide A
ChEBI ID CHEBI:208381
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O7
Net Charge 0
Average Mass 494.669
Monoisotopic Mass 494.32435
InChI InChI=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+
InChIKey LTXWIJFJMWETHY-AEXVIOBPSA-N
SMILES O=C1OC(/C(=C/C=C/C(CC2OC2C(C(O)CC)C)C)/C)C(C=CC(O)C(CCC(C1)O)(O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
8181531 ChemSpider
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