Marvin  01131217012D          

 23 23  0  0  0  0            999 V2000
   17.6281  -10.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6281   -7.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4764   -8.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4764   -9.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2197  -10.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2650   -9.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9255   -7.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3516   -8.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9255  -10.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2197   -7.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2650   -8.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5391  -10.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2117  -10.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2117   -7.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5391   -7.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7798   -9.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7798   -8.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9316  -10.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0835   -9.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0835   -8.1907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9316   -7.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9316   -6.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8742  -11.6102    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  1  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
 23 13  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
> <ID>
CHEBI:34157

> <NAME>
14,15-EET

> <DEFINITION>
An EET obtained by formal epoxidation of the 14,15-double bond of arachidonic acid.

> <STAR>
3

> <SYNONYM>
all-cis-14,15-epoxyeicosa-5,8,11-trienoic acid; 14,15-epoxy-5Z,8Z,11Z-icosatrienoic acid; 14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acid; 14,15-EpETrE; 14(15)-EpETrE; (5Z,8Z,11Z)-14,15-Epoxyicosa-5.8.11-trienoic acid; (5Z,8Z,11Z)-14,15-Epoxyeicosa-5.8.11-trienoic acid; (+/-)14,15-EpETrE

> <IUPAC_NAME>
(5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid

> <FORMULA>
C20H32O3

> <MASS>
320.46630

> <MONOISOTOPIC_MASS>
320.23514

> <CHARGE>
0

> <SMILES>
CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O

> <INCHI>
InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-

> <INCHIKEY>
JBSCUHKPLGKXKH-ILYOTBPNSA-N

> <REAXYS_REGISTRY_NUMBER>
4703440

> <KEGG_COMPOUND_ACCESSION>
C14771

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03080005

> <PUBMED_CITATION>
19653681

$$$$