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CHEBI:67880 - (4S,5S)/(4R,5R)-2,2,4-triethyl-5-methyl-1,3-dioxolane

ChEBI IDCHEBI:67880
ChEBI Name(4S,5S)/(4R,5R)-2,2,4-triethyl-5-methyl-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
SMILESCCC1OC(CC)(CC)OC1C
InChIInChI=1S/C10H20O2/c1-5-9-8(4)11-10(6-2,7-3)12-9/h8-9H,5-7H2,1-4H3
InChIKeyYGCDEVNIIFDSNC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Triatoma brasiliensis (ncbitaxon:65344) gland (BTO:0000522) PubMed (21486009) Mixture of trans isomer found to be in the ratio 4:1(4S,5S:4R,5R) 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)
(4S,5S)/(4R,5R)-2,2,4-triethyl-5-methyl-1,3-dioxolane (CHEBI:67880) has role metabolite (CHEBI:25212)
(4S,5S)/(4R,5R)-2,2,4-triethyl-5-methyl-1,3-dioxolane (CHEBI:67880) is a dioxolane (CHEBI:39430)
Citations