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

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ChEBI Name (4S,5S)/(4R,5R)-2,2,4-triethyl-5-methyl-1,3-dioxolane
ChEBI ID CHEBI:67880
Definition A natural product found in Triatoma brasiliensis and Triatoma infestans.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H20O2
Net Charge 0
Average Mass 172.26460
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-5-9-8(4)11-10(6-2,7-3)12-9/h8-9H,5-7H2,1-4H3
InChIKey YGCDEVNIIFDSNC-UHFFFAOYSA-N
SMILES CCC1OC(CC)(CC)OC1C
Metabolite of Species Details
Triatoma infestans (NCBI:txid30076) Found in gland (BTO:0000522). metasternal glands See: PubMed
Triatoma brasiliensis (NCBI:txid65344) Found in gland (BTO:0000522). Mixture of trans isomer found to be in the ratio 4:1(4S,5S:4R,5R) from metasternal glands See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing (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)
Citation Waiting for Citations Type Source
21486009 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:acetal(CHEBI:59769);