Ketcher 04232018582D 1   1.00000     0.00000     0

 11 10  0     0  0            999 V2000
   21.6206  -13.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7546  -13.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8886  -13.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0225  -13.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1565  -13.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2905  -13.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2905  -14.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1565  -15.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0225  -14.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8886  -15.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6206  -12.1235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1 11  2  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
M  END
> <ID>
CHEBI:149547

> <NAME>
(2E,4E)-deca-2,4-dienal

> <DEFINITION>
A polyunsaturated fatty aldehyde that is decanal which has undergone formal dehydrogenation to introduce trans- double bonds at the 2-3 and 4-5 positions. A product of lipid peroxidation in cell membranes and a component of cooking oil fumes.

> <STAR>
3

> <SYNONYM>
trans-2, trans-4-decadienal; trans,trans-2,4-decadienal; trans,trans-2,4-decadien-1-al; 2-trans-4-trans-decadienal; 2,4-trans,trans-decadienal; (E,E)-2,4-decadienal; (2E,4E)-decadienal; (2E,4E)-2,4-decadienal

> <IUPAC_NAME>
(2E,4E)-deca-2,4-dienal

> <FORMULA>
C10H16O

> <MASS>
152.237

> <MONOISOTOPIC_MASS>
152.12012

> <CHARGE>
0

> <SMILES>
C(/C=C/C=C/CCCCC)=O

> <INCHI>
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+

> <INCHIKEY>
JZQKTMZYLHNFPL-BLHCBFLLSA-N

> <CAS_REGISTRY_NUMBER>
25152-84-5

> <CHEMIDPLUS>
25152-84-5

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA06000057

> <NIST_CHEMISTRY_WEBBOOK>
25152-84-5

> <WIKIPEDIA_ACCESSION>
(E,E)-2,4-Decadienal

> <AGRICOLA_CITATION>
IND43862719

> <PUBMED_CITATION>
10898592; 11764942; 12204592; 15144221; 15201434; 16014734; 17658762; 18187174; 18368469; 19797125; 20143344; 20936405; 21704156; 22224661; 23992954; 25244621; 26040727; 26322627; 31918337; 32238829; 8564922

$$$$