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CHEBI:67884 - rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylpropyl)-1,3-dioxolane

ChEBI IDCHEBI:67884
ChEBI Namerel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-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
SMILESCCC(C)C1O[C@@H](C)[C@H](CC)O1
InChIInChI=1S/C10H20O2/c1-5-7(3)10-11-8(4)9(6-2)12-10/h7-10H,5-6H2,1-4H3/t7?,8-,9-,10?/m0/s1
InChIKeyZMRVRZCZVOKDTI-ZNHWEVIXSA-N
Species of MetaboliteComponentSourceComments
Triatoma infestans (ncbitaxon:30076) gland (BTO:0000522) PubMed (21486009) metasternal glands
Triatoma brasiliensis (ncbitaxon:65344) gland (BTO:0000522) PubMed (21486009) Trans compound isolated from 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-(1-methylpropyl)-1,3-dioxolane (CHEBI:67884) has role metabolite (CHEBI:25212)
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylpropyl)-1,3-dioxolane (CHEBI:67884) is a dioxolane (CHEBI:39430)
Citations