CHEBI:68106 - Pinnarine

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ChEBI Name Pinnarine
ChEBI ID CHEBI:68106
Definition A natural product found in Halichondria okadai.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H34ClNO3
Net Charge 0
Average Mass 407.97400
Monoisotopic Mass 407.22272
InChI InChI=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
InChIKey YETAKRZPZUKKMS-IBSBDYNISA-N
SMILES [H][C@@]12CCC[C@]3(CCC[C@]3([H])[C@@H](C)\C=C\[C@@H](O)\C=C(Cl)\CCOC(=O)\C(C)=C\C1)N2
Metabolite of Species Details
Halichondria okadai (NCBI:txid163232) Methanolic extract of the crushed black sponge 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 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-one ChEBI
Citation Waiting for Citations Type Source
21410164 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:azaspiro compound(CHEBI:35624); ISA:piperidines(CHEBI:26151); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organochlorine compound(CHEBI:36683); ISA:chloroalkene(CHEBI:36387); ISA:secondary amino compound(CHEBI:50995); ISA:carbonyl compound(CHEBI:36586);