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

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ChEBI Name rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylpropyl)-1,3-dioxolane
ChEBI ID CHEBI:67884
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/c1-5-7(3)10-11-8(4)9(6-2)12-10/h7-10H,5-6H2,1-4H3/t7?,8-,9-,10?/m0/s1
InChIKey ZMRVRZCZVOKDTI-ZNHWEVIXSA-N
SMILES CCC(C)C1O[C@@H](C)[C@H](CC)O1
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-(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)
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);