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CHEBI:84216 - (2R,3S)-2-methyl-3-propyloxirane

ChEBI IDCHEBI:84216
ChEBI Name(2R,3S)-2-methyl-3-propyloxirane
Stars
ASCII Name(2R,3S)-2-methyl-3-propyloxirane
DefinitionAn epoxide that is oxirane substituted by a methyl and a propyl group at positions 2 and 3 respectively. Metabolite observed in cancer metabolism.
Last Modified14 January 2015
Submitternamrata
DownloadsMolfile
FormulaC6H12O
Net Charge0
Average Mass100.161
Monoisotopic Mass100.08882
SMILES[H][C@]1(C)O[C@@]1([H])CCC
InChIInChI=1S/C6H12O/c1-3-4-6-5(2)7-6/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyLIESJAYIOKBLIL-RITPCOANSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS150)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-2-methyl-3-propyloxirane (CHEBI:84216) has role human metabolite (CHEBI:77746)
(2R,3S)-2-methyl-3-propyloxirane (CHEBI:84216) is a epoxide (CHEBI:32955)
IUPAC Name 
(2R,3S)-2-methyl-3-propyloxirane
Synonym  Source
cis-2-methyl-3-propyl-oxiraneChEBI
Registry NumbersSources
Reaxys:1280150Reaxys
Citations