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CHEBI:67885 - rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane

ChEBI IDCHEBI:67885
ChEBI Namerel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane
Stars
DefinitionA natural product found in Triatoma brasiliensis and Triatoma infestans.
Last Modified22 September 2014
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCC[C@@H]1OC(CC(C)C)O[C@H]1C
InChIInChI=1S/C10H20O2/c1-5-9-8(4)11-10(12-9)6-7(2)3/h7-10H,5-6H2,1-4H3/t8-,9-,10?/m0/s1
InChIKeyWVTKMYYAEYEMBL-XMCUXHSSSA-N
Species of MetaboliteComponentSourceComments
Triatoma brasiliensis (ncbitaxon:65344) gland (BTO:0000522) PubMed (21486009) Trans compound isolated from metasternal glands
Triatoma infestans (ncbitaxon:30076) gland (BTO:0000522) PubMed (21486009) metasternal glands
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)
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane (CHEBI:67885) has role metabolite (CHEBI:25212)
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane (CHEBI:67885) is a dioxolane (CHEBI:39430)
Citations