Marvin  02210620302D          

 22 21  0  0  0  0            999 V2000
    1.0549   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0549    0.7500    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
   -2.2999   -1.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6515   -0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027    0.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4587   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027   -0.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2999    0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6515    0.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2409   -1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0643   -1.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0643    0.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2409    0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4838   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1983   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1983    0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4838    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4838    1.5750    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  END
> <ID>
CHEBI:15843

> <NAME>
arachidonic acid

> <DEFINITION>
A long-chain fatty acid that is a C20, polyunsaturated fatty acid having four (Z)-double bonds at positions 5, 8, 11 and 14.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40501; CHEBI:22608; CHEBI:2799

> <SYNONYM>
cis-Delta(5,8,11,14)-eicosatetraenoic acid; cis-5,8,11,14-Eicosatetraenoic acid; Arachidonsaeure; ARACHIDONIC ACID; Arachidonic acid; Arachidonate; ARA; all-cis-5,8,11,14-eicosatetraenoic acid; AA; (5Z,8Z,11Z,14Z)-Icosatetraenoic acid; (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid

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

> <FORMULA>
C20H32O2

> <MASS>
304.46690

> <MONOISOTOPIC_MASS>
304.24023

> <CHARGE>
0

> <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)/b7-6-,10-9-,13-12-,16-15-

> <INCHIKEY>
YZXBAPSDXZZRGB-DOFZRALJSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1913991

> <CAS_REGISTRY_NUMBER>
506-32-1

> <GMELIN_REGISTRY_NUMBER>
58972

> <REAXYS_REGISTRY_NUMBER>
1913991

> <CHEMIDPLUS>
506-32-1

> <DRUGBANK_ACCESSION>
DB04557

> <KEGG_COMPOUND_ACCESSION>
C00219

> <KNAPSACK_ACCESSION>
C00000388

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030001

> <METACYC_ACCESSION>
ARACHIDONIC_ACID

> <NIST_CHEMISTRY_WEBBOOK>
506-32-1

> <PDBECHEM_ACCESSION>
ACD

> <WIKIPEDIA_ACCESSION>
Arachidonic_acid

> <PUBMED_CITATION>
15129302; 18931599; 18973997; 25584012; 2820055

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