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CHEBI:59875 - pandangolide 1a

ChEBI IDCHEBI:59875
ChEBI Namepandangolide 1a
Stars
DefinitionA hexaketide lactone isolated from the sponge-associated fungus Cladosporium sp. It is a diastereoisomer of pandangolide 1.
Last Modified3 December 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H20O5
Net Charge0
Average Mass244.287
Monoisotopic Mass244.13107
SMILESC[C@H]1CCCCC[C@H](O)C(=O)[C@@H](O)CC(=O)O1
InChIInChI=1S/C12H20O5/c1-8-5-3-2-4-6-9(13)12(16)10(14)7-11(15)17-8/h8-10,13-14H,2-7H2,1H3/t8-,9-,10-/m0/s1
InChIKeyLSLSZASQWJAEHT-GUBZILKMSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
pandangolide 1a (CHEBI:59875) has role metabolite (CHEBI:25212)
pandangolide 1a (CHEBI:59875) is a hexaketide (CHEBI:59870)
pandangolide 1a (CHEBI:59875) is a macrolide (CHEBI:25106)
pandangolide 1a (CHEBI:59875) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(4S,6S,12S)-4,6-dihydroxy-12-methyloxacyclododecane-2,5-dione
Registry NumbersSources
Beilstein:11338427Beilstein
Citations