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CHEBI:69359 - Tritoniopsin A, rel-

ChEBI IDCHEBI:69359
ChEBI NameTritoniopsin A, rel-
Stars
DefinitionA natural product found in Tritoniopsis elegans and Cladiella krempfi.
Last Modified26 August 2015
DownloadsMolfile
FormulaC24H38O5
Net Charge0
Average Mass406.563
Monoisotopic Mass406.27192
SMILES[H][C@]12O[C@]([H])(C/C(C)=C/CC[C@@]1(C)OC(=O)CCC)[C@@]1([H])[C@@](C)(O)[C@@]3([H])C[C@]([H])([C@@H](C)CO3)[C@@]21[H]
InChIInChI=1S/C24H38O5/c1-6-8-19(25)29-23(4)10-7-9-14(2)11-17-21-20(22(23)28-17)16-12-18(24(21,5)26)27-13-15(16)3/h9,15-18,20-22,26H,6-8,10-13H2,1-5H3/b14-9+/t15-,16+,17+,18+,20+,21+,22+,23+,24-/m0/s1
InChIKeyPJCYPUODMUBESE-GHSAYXMXSA-N
Species of MetaboliteComponentSourceComments
Tritoniopsis elegans (ncbitaxon:152756)
mantle (BTO:0000825) PubMed (21861494) Acetone extract of mantle and glands and Tritoniopsis elegans found grazing on Cladiella krempfi
gland (BTO:0000522) PubMed (21861494) Acetone extract of mantle and glands and Tritoniopsis elegans found grazing on Cladiella krempfi
Cladiella krempfi (WORMS:209611) - PubMed (21861494) Acetone extract of frozen specimens
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)
Tritoniopsin A, rel- (CHEBI:69359) has role metabolite (CHEBI:25212)
Tritoniopsin A, rel- (CHEBI:69359) is a butyrate ester (CHEBI:50477)
Tritoniopsin A, rel- (CHEBI:69359) is a oxanes (CHEBI:46942)
Synonym  Source
rel-(1R,2R,3R,4R,7R,8R,9S,10R,12E,16R)-8-Hydroxy-4,8,12,16-tetramethyl-6,17-dioxatetracyclo[8.6.1.1(3,7).0(2,9)]octadec-12-en-16-yl butyrateChEBI
Manual XrefsDatabases
27025605ChemSpider
Citations