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CHEBI:68106 - Pinnarine

ChEBI IDCHEBI:68106
ChEBI NamePinnarine
Stars
DefinitionA natural product found in Halichondria okadai.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H34ClNO3
Net Charge0
Average Mass407.982
Monoisotopic Mass407.22272
SMILES[H][C@]12C/C=C(\C)C(=O)OCC/C(Cl)=C/[C@H](O)/C=C/[C@H](C)[C@@]3([H])CCC[C@@]3(CCC1)N2
InChIInChI=1S/C23H34ClNO3/c1-16-8-10-20(26)15-18(24)11-14-28-22(27)17(2)7-9-19-5-3-12-23(25-19)13-4-6-21(16)23/h7-8,10,15-16,19-21,25-26H,3-6,9,11-14H2,1-2H3/b10-8+,17-7+,18-15-/t16-,19+,20+,21+,23+/m0/s1
InChIKeyYETAKRZPZUKKMS-IBSBDYNISA-N
Species of MetaboliteComponentSourceComments
Halichondria okadai (ncbitaxon:163232) - PubMed (21410164) Methanolic extract of the crushed black sponge
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)
Pinnarine (CHEBI:68106) has role metabolite (CHEBI:25212)
Pinnarine (CHEBI:68106) is a macrolide (CHEBI:25106)
Synonym  Source
1S,5R,6S,9R,10Z,16E,19R)-11-Chloro-9-hydroxy-6,16-dimethyl-14-oxa-23-azatricyclo[17.3.1.0(1,5)]tricosa-7,10,16-trien-15-oneChEBI
Citations