CHEBI:68419 - seco-plakortolide P

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ChEBI Name seco-plakortolide P
ChEBI ID CHEBI:68419
ChEBI ASCII Name seco-plakortolide P
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-phenyltetradeca-11,13-dien-1-yl 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 C26H38O4
Net Charge 0
Average Mass 414.57750
Monoisotopic Mass 414.27701
InChI InChI=1S/C26H38O4/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/h7,9,11-14,16-18,23,27,29H,3-6,8,10,15,19-21H2,1-2H3/b9-7+,16-12+/t23-,25-,26-/m0/s1
InChIKey BBUUFCRHKRIKHW-NZGJWSFPSA-N
SMILES C[C@](O)(CCCCCCCC\C=C\C=C\c1ccccc1)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 P (CHEBI:68419) has role metabolite (CHEBI:25212)
seco-plakortolide P (CHEBI:68419) is a butan-4-olide (CHEBI:22950)
seco-plakortolide P (CHEBI:68419) is a diol (CHEBI:23824)
IUPAC Name
(4S,5S)-4-hydroxy-5-[(2S,11E,13E)-2-hydroxy-2-methyl-14-phenyltetradeca-11,13-dien-1-yl]-5-methyldihydrofuran-2(3H)-one
Registry Number Type Source
21309204 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21261297 PubMed citation Europe PMC
Last Modified
26 September 2013