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CHEBI:4685 - dolichodial

Default Structure
ChEBI IDCHEBI:4685
ChEBI Namedolichodial
Stars
DefinitionA dialdehyde that is cyclopentanecarbaldehyde substituted by a methyl group at position 2 and a 3-oxo-prop-1-en-2yl group at position 5. It has been found to occur in pheromones of insects such as aphids.
Last Modified12 February 2015
DownloadsMolfile
FormulaC10H14O2
Net Charge0
Average Mass166.220
Monoisotopic Mass166.09938
SMILES[H][C@]1(C(=C)C=O)CC[C@H](C)[C@@]1([H])C=O
InChIInChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-7,9-10H,2-4H2,1H3/t7-,9+,10+/m0/s1
InChIKeyBORBLDJNKYHVJP-FXBDTBDDSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Dysaphis plantaginea (ncbitaxon:214836) - PubMed (19023626)
Teucrium marum (ncbitaxon:711380) - PubMed (15763383)
Roles Classification
Biological Roles:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
dolichodial (CHEBI:4685) has role animal metabolite (CHEBI:75767)
dolichodial (CHEBI:4685) has role plant metabolite (CHEBI:76924)
dolichodial (CHEBI:4685) has role volatile oil component (CHEBI:27311)
dolichodial (CHEBI:4685) is a dialdehyde (CHEBI:38124)
dolichodial (CHEBI:4685) is a iridoid monoterpenoid (CHEBI:50563)
dolichodial (CHEBI:4685) is a olefinic compound (CHEBI:78840)
IUPAC Name 
(1R,2S,5S)-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentanecarbaldehyde
Synonyms  Source
(1R,2S,5S)-2-(1-formylvinyl)-5-methylcyclopentanecarbaldehydeIUPAC
DolichodialKEGG COMPOUND
IridialKEGG COMPOUND
Manual XrefsDatabases
C00003079KNApSAcK
C09777KEGG COMPOUND
DolichodialWikipedia
Registry NumbersSources
Reaxys:2207598Reaxys
CAS:5951-57-5KEGG COMPOUND
Citations