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CHEBI:139337 - (4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal

ChEBI IDCHEBI:139337
ChEBI Name(4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal
Stars
ASCII Name(4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal
DefinitionA sesquiterpenoid that is (4Z,8Z)-4,8-dimethyltrideca-4,8-diene carrying two oxo substituents at positions 1 and 12. A product from bacterial degradation of rubber.
Last Modified12 February 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILES[H]C(=O)CC/C(C)=C\CC/C(C)=C\CCC(C)=O
InChIInChI=1S/C15H24O2/c1-13(9-5-11-15(3)17)7-4-8-14(2)10-6-12-16/h8-9,12H,4-7,10-11H2,1-3H3/b13-9-,14-8-
InChIKeyWFSIQNRAWDRWLN-RDBXOABQSA-N
Species of MetaboliteComponentSourceComments
Xanthomonas sp. (ncbitaxon:29446) - PubMed (18259065) Strain: 35Y
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal (CHEBI:139337) has role bacterial xenobiotic metabolite (CHEBI:76976)
(4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal (CHEBI:139337) is a aliphatic aldehyde (CHEBI:59768)
(4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal (CHEBI:139337) is a methyl ketone (CHEBI:51867)
(4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal (CHEBI:139337) is a olefinic compound (CHEBI:78840)
(4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal (CHEBI:139337) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal
Synonym  Source
ODTDMetaCyc
UniProt Name  Source
(4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienalUniProt
Manual XrefsDatabases
CPD-20487MetaCyc
Registry NumbersSources
Reaxys:5259121Reaxys
Citations