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CHEBI:69128 - latrunculone A

ChEBI IDCHEBI:69128
ChEBI Namelatrunculone A
Stars
DefinitionA natural product found in Cacospongia mycofijiensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H31NO7S
Net Charge0
Average Mass453.557
Monoisotopic Mass453.18212
SMILES[H][C@@]1([C@@]2(O)C[C@H]3C[C@@H](CC[C@H](C)C(=O)/C=C/C(O)CC/C(C)=C\C(=O)O3)O2)CSC(=O)N1
InChIInChI=1S/C22H31NO7S/c1-13-3-5-15(24)6-8-18(25)14(2)4-7-16-10-17(29-20(26)9-13)11-22(28,30-16)19-12-31-21(27)23-19/h6,8-9,14-17,19,24,28H,3-5,7,10-12H2,1-2H3,(H,23,27)/b8-6+,13-9-/t14-,15?,16+,17+,19-,22+/m0/s1
InChIKeyCAODWWDJZSOHTH-FSRSQASASA-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 A (CHEBI:69128) has role metabolite (CHEBI:25212)
latrunculone A (CHEBI:69128) is a macrolide (CHEBI:25106)
Synonym  Source
(4R)-4-[(1R,4S,5Z,11Z,15R,17R)-8,17-dihydroxy-4,11-dimethyl-13-oxo-14,18-dioxabicyclo[13.3.1]nonadeca-5,11-dien-17-yl]-1,3-thiazolidin-2-oneChEBI
Citations