Mrv0541 06031414412D          

 20 19  0  0  0  0            999 V2000
    1.6117   -0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3262   -0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3273   -0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6129   -0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8984   -0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1840   -0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4695   -0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7551   -0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407   -0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3273    0.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0418   -0.7232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6117    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3261    0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3261    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405    2.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    1.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4694    2.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1839    1.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8983    2.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6128    1.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  2  0  0  0  0
  2  1  1  0  0  0  0
  3 10  2  0  0  0  0
  3 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  2  1  0  0  0  0
  8  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
> <ID>
CHEBI:17351

> <NAME>
linoleic acid

> <DEFINITION>
An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42395; CHEBI:6479; CHEBI:25047

> <SYNONYM>
linolic acid; LINOLEIC ACID; Linoleic acid; LA; cis-Delta(9,12)-octadecadienoic acid; cis,cis-linoleic acid; cis,cis-linoleic acid; cis,cis-9,12-octadecadienoic acid; C18:2, n-6,9 all-cis; C18:2 9c, 12c omega6 todos cis-9,12-octadienoico; all-cis-9,12-octadecadienoic acid; acido linoleico; acide linoleique; acide cis-linoleique; 9Z,12Z-octadecadienoic acid; 9-cis,12-cis-Octadecadienoic acid; (Z,Z)-9,12-octadecadienoic acid; (9Z,12Z)-Octadecadienoic acid

> <IUPAC_NAME>
(9Z,12Z)-octadeca-9,12-dienoic acid

> <FORMULA>
C18H32O2

> <MASS>
280.44550

> <MONOISOTOPIC_MASS>
280.24023

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-

> <INCHIKEY>
OYHQOLUKZRVURQ-HZJYTTRNSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1727101

> <CAS_REGISTRY_NUMBER>
60-33-3

> <GMELIN_REGISTRY_NUMBER>
57557

> <REAXYS_REGISTRY_NUMBER>
1727101

> <CHEMIDPLUS>
60-33-3

> <KEGG_COMPOUND_ACCESSION>
C01595

> <KNAPSACK_ACCESSION>
C00001224

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030120

> <METACYC_ACCESSION>
LINOLEIC_ACID

> <NIST_CHEMISTRY_WEBBOOK>
60-33-3

> <PDBECHEM_ACCESSION>
EIC

> <WIKIPEDIA_ACCESSION>
Linoleic_acid

> <PUBMED_CITATION>
11113630; 11304127; 11322990; 14667063; 14993245; 15115315; 15642793; 15969511; 16254037; 16563718; 17647039; 18044828; 18990554; 19628674; 19936816; 23900039; 24081493; 6205897

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