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CHEBI:84226 - (3E)-2,3,4-trimethylhex-3-enal

ChEBI IDCHEBI:84226
ChEBI Name(3E)-2,3,4-trimethylhex-3-enal
Stars
ASCII Name(3E)-2,3,4-trimethylhex-3-enal
DefinitionA hexenal that is (3E)-hex-3-enal substituted by methyl groups at positions 2, 3 and 6. Metabolite observed in cancer metabolism.
Last Modified14 January 2015
Submitternamrata
DownloadsMolfile
FormulaC9H16O
Net Charge0
Average Mass140.226
Monoisotopic Mass140.12012
SMILESCC/C(C)=C(\C)C(C)C=O
InChIInChI=1S/C9H16O/c1-5-7(2)9(4)8(3)6-10/h6,8H,5H2,1-4H3/b9-7+
InChIKeyBVVNPUJZXVWJAQ-VQHVLOKHSA-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)
(3E)-2,3,4-trimethylhex-3-enal (CHEBI:84226) has role human metabolite (CHEBI:77746)
(3E)-2,3,4-trimethylhex-3-enal (CHEBI:84226) is a hexenal (CHEBI:24578)
IUPAC Name 
(3E)-2,3,4-trimethylhex-3-enal
Citations