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CHEBI:69130 - latrunculone B

ChEBI IDCHEBI:69130
ChEBI Namelatrunculone B
Stars
DefinitionA natural product found in Cacospongia mycofijiensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H31NO6S
Net Charge0
Average Mass437.558
Monoisotopic Mass437.18721
SMILES[H][C@@]1([C@@]2(O)C[C@H]3C[C@@H](CC[C@H](C)/C=C\CC(=O)CC/C(C)=C\C(=O)O3)O2)CSC(=O)N1
InChIInChI=1S/C22H31NO6S/c1-14-4-3-5-16(24)8-6-15(2)10-20(25)28-18-11-17(9-7-14)29-22(27,12-18)19-13-30-21(26)23-19/h3-4,10,14,17-19,27H,5-9,11-13H2,1-2H3,(H,23,26)/b4-3-,15-10-/t14-,17-,18-,19+,22-/m1/s1
InChIKeyGCLFJDBFHQMHMU-PPLVVCHYSA-N
Species of MetaboliteComponentSourceComments
Cacospongia mycofijiensis (ncbitaxon:1162744) - PubMed (22129061)
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)
latrunculone B (CHEBI:69130) has role metabolite (CHEBI:25212)
latrunculone B (CHEBI:69130) is a macrolide (CHEBI:25106)
Synonym  Source
(1R,4Z,10Z,12S,15R,17R)-17-Hydroxy-5,12-dimethyl-17-[(4R)-2-oxo-1,3-thiazolidin-4-yl]-2,16-dioxabicyclo[13.3.1]nonadeca-4,10-diene-3,8-dioneChEBI
Citations