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

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ChEBI Name rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane
ChEBI ID CHEBI:67885
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(12-9)6-7(2)3/h7-10H,5-6H2,1-4H3/t8-,9-,10?/m0/s1
InChIKey WVTKMYYAEYEMBL-XMCUXHSSSA-N
SMILES CC[C@@H]1OC(CC(C)C)O[C@H]1C
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). Trans compound isolated 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 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)
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);