CHEBI:68417 - seco-plakortolide L

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ChEBI Name seco-plakortolide L
ChEBI ID CHEBI:68417
ChEBI ASCII Name seco-plakortolide L
Definition A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 4, a 2-hydroxy-2-methyl-14-phenyltetradecyl group at position 5 and a methyl group at position 5 (the 4S,5S stereoisomer). It is isolated from the Australian marine sponge Plakinastrella clathrata.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H42O4
Net Charge 0
Average Mass 418.60930
Monoisotopic Mass 418.30831
InChI InChI=1S/C26H42O4/c1-25(29,21-26(2)23(27)20-24(28)30-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h11,13-14,17-18,23,27,29H,3-10,12,15-16,19-21H2,1-2H3/t23-,25-,26-/m0/s1
InChIKey APUHCCTYZGXKTG-RNXOBYDBSA-N
SMILES C[C@](O)(CCCCCCCCCCCCc1ccccc1)C[C@]1(C)OC(=O)C[C@@H]1O
Metabolite of Species Details
Plakinastrella clathrata (WORMS:169753) CH2Cl2/MeOH (1:1) extract of diced specimen See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing seco-plakortolide L (CHEBI:68417) has role metabolite (CHEBI:25212)
seco-plakortolide L (CHEBI:68417) is a butan-4-olide (CHEBI:22950)
seco-plakortolide L (CHEBI:68417) is a diol (CHEBI:23824)
IUPAC Name
(4S,5S)-4-hydroxy-5-[(2S)-2-hydroxy-2-methyl-14-phenyltetradecyl]-5-methyldihydrofuran-2(3H)-one
Registry Number Type Source
21309208 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21261297 PubMed citation Europe PMC
Last Modified
26 September 2013