Marvin  03150712562D          

 22 21  0  0  0  0            999 V2000
    1.0550   -0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550    0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3405    0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3405   -0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001   -1.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6516   -0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1029    0.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4590   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1029   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001    0.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6516    0.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2409   -1.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0644   -1.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0644    0.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2409    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7694   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7694    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4840   -0.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1985   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1985    0.3375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4840    0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4840    1.5751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1  4  1  0  0  0  0
 17  2  1  0  0  0  0
  2  3  1  0  0  0  0
 10  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  2  0  0  0  0
 10 11  1  0  0  0  0
 12  4  1  0  0  0  0
 12 13  2  0  0  0  0
 14 11  1  0  0  0  0
  6 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15  3  1  0  0  0  0
 18 16  1  0  0  0  0
 21 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  1  20  -1
M  END
> <ID>
CHEBI:32395

> <NAME>
arachidonate

> <DEFINITION>
A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:13852; CHEBI:22607

> <SYNONYM>
(5Z,8Z,11Z,14Z)-eicosatetraenoate; (20:4n6)

> <IUPAC_NAME>
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

> <FORMULA>
C20H31O2

> <MASS>
303.45894

> <MONOISOTOPIC_MASS>
303.23295

> <CHARGE>
-1

> <SMILES>
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O

> <INCHI>
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-15-

> <INCHIKEY>
YZXBAPSDXZZRGB-DOFZRALJSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
5439048

> <GMELIN_REGISTRY_NUMBER>
419207

> <METACYC_ACCESSION>
ARACHIDONIC_ACID

> <PUBMED_CITATION>
18772128

$$$$