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CHEBI:133741 - (E)-dodec-2-enal

ChEBI IDCHEBI:133741
ChEBI Name(E)-dodec-2-enal
Stars
ASCII Name(E)-dodec-2-enal
DefinitionA trans-2,3-unsaturated fatty aldehyde that is (E)-dodec-2-ene in which the allylic methyl group has been oxidised to the corresponding aldehyde.
Last Modified26 October 2016
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC12H22O
Net Charge0
Average Mass182.307
Monoisotopic Mass182.16707
SMILESCCCCCCCCC/C=C/C=O
InChIInChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
InChIKeySSNZFFBDIMUILS-ZHACJKMWSA-N
Species of MetaboliteComponentSourceComments
Eryngium foetidum (ncbitaxon:477864) - PubMed (24139239) petroleum extract
Aristolochia delavayi (ncbitaxon:1541215) aerial part (BTO:0001658) PubMed (24243612) 6.8% of essential oil from hydrodistillation from the aerial parts
Persicaria odorata (ncbitaxon:580473) leaf (BTO:0000713) PubMed (25870012) Minor component of Essential oil derived from the fresh leaves
Coriandrum sativum (ncbitaxon:4047) - Article (AGR:IND500604868) In essential oil
Acorus calamus var. angustatus (ncbitaxon:325552) - PubMed (156112806)
Ducrosia anethifolia (ncbitaxon:325716) - PubMed (6483572) In essential oil
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
ChEBI Ontology
Outgoing Relation(s)
(E)-dodec-2-enal (CHEBI:133741) has parent hydride (E)-2-dodecene (CHEBI:88609)
(E)-dodec-2-enal (CHEBI:133741) has role anthelminthic drug (CHEBI:35443)
(E)-dodec-2-enal (CHEBI:133741) has role antibacterial agent (CHEBI:33282)
(E)-dodec-2-enal (CHEBI:133741) has role plant metabolite (CHEBI:76924)
(E)-dodec-2-enal (CHEBI:133741) is a trans-2,3-unsaturated fatty aldehyde (CHEBI:84588)
(E)-dodec-2-enal (CHEBI:133741) is a long-chain fatty aldehyde (CHEBI:17176)
Incoming Relation(s)
trans-2-dodecenoic acid (CHEBI:37162) has functional parent (E)-dodec-2-enal (CHEBI:133741)
IUPAC Name 
(2E)-dodec-2-enal
Synonyms  Source
trans-dodec-2-enalChEBI
trans-2-dodecenalNIST Chemistry WebBook
(E)-2-dodecen-1-alNIST Chemistry WebBook
(E)-dodec-2-en-1-alNIST Chemistry WebBook
eryngialChEBI
UniProt Name  Source
(2E)-dodecenalUniProt
Manual XrefsDatabases
EP0282940Patent
HMDB0031020HMDB
Registry NumbersSources
CAS:20407-84-5ChemIDplus
CAS:20407-84-5NIST Chemistry WebBook
Citations