Mrv0541 06171411012D          

 22 21  0  0  0  0            999 V2000
    6.0471   -3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7071   -3.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4496   -3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509   -3.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8521   -3.6313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509   -2.3938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3187   -3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6174   -3.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6174   -4.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -4.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -5.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175   -6.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175   -6.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3319   -7.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465   -6.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7609   -7.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4753   -6.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1899   -7.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9044   -6.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6188   -7.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3333   -6.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0478   -7.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:72865

> <NAME>
(5Z,8Z,11Z)-icosatrienoic acid

> <DEFINITION>
A 5,8,11-eicosatrienoic acid in which all three double bonds adopt cis-configuration.

> <STAR>
3

> <SYNONYM>
Mead acid; ETrE(5Z,8Z,11Z); cis-5,8,11-eicosatrienoic acid; C20:3n-9,12,15; all-cis-icosa-5,8,11-trienoic acid; all-cis-eicosa-5,8,11-trienoic acid; all-cis-5,8,11-eicosatrienoic acid; 5Z,8Z,11Z-icosatrienoic acid; 5Z,8Z,11Z-eicosatrienoic acid; (Z,Z,Z)-5,8,11-eicosatrienoic acid; (5Z,8Z,11Z)-eicosatrienoic acid; (5Z,8Z,11Z)-eicosa-5,8,11-trienoic acid

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

> <FORMULA>
C20H34O2

> <MASS>
306.48280

> <MONOISOTOPIC_MASS>
306.25588

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9-,13-12-,16-15-

> <INCHIKEY>
UNSRRHDPHVZAHH-YOILPLPUSA-N

> <REAXYS_REGISTRY_NUMBER>
1713304

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030381

> <PUBMED_CITATION>
18292294

$$$$