ChEBI


 20 19  0  0  0  0  0  0  0  0  1 V2000
   26.3673  -23.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1745  -24.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3673  -22.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9817  -23.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7889  -24.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5962  -23.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4034  -24.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2106  -23.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0178  -24.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8250  -23.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6322  -24.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5601  -24.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6322  -25.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4394  -26.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4394  -27.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2466  -28.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2466  -29.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0538  -30.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610  -29.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6682  -30.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  1 12  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
> <ID>
CHEBI:32409

> <NAME>
(9Z,11E,13E,15Z)-octadecatetraenoic acid

> <DEFINITION>
The (9Z,11E,13E,15Z)-isomer of parinaric acid.

> <STAR>
3

> <SYNONYM>
Octadeca-9c,11t,13t,15c-tetraensaeure; octadeca-9c,11t,13t,15c-tetraenoic acid; cis-parinaric acid; cis-9,trans-11,trans-13,cis-15-Octadecatetraensaeure; cis,trans,trans,cis-octadeca-9,11,13,15-tetraenoic acid; C18:4, n-3 cis, 5 cis, 7 trans, 9 trans; alpha-Parinarinsaeure; alpha-parinaric acid; alpha-parinaric acid; 9c11t13t15c-18:4; 9-cis,11-trans,13-trans,15-cis-octadecatetraenoic acid; (Z,E,E,Z)-octadeca-9,11,13,15-tetraenoic acid

> <IUPAC_NAME>
(9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoic acid

> <FORMULA>
C18H28O2

> <MASS>
276.41372

> <MONOISOTOPIC_MASS>
276.20893

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+,10-9-

> <INCHIKEY>
IJTNSXPMYKJZPR-ZSCYQOFPSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1726556

> <REAXYS_REGISTRY_NUMBER>
1726556

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030170

> <PUBMED_CITATION>
15164761; 9714568; 9989268

$$$$