Mrv0541 02231510232D          

 22 21  0  0  0  0            999 V2000
   -8.3471    6.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6326    7.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6326    6.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9182    6.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2037    6.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4892    6.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7747    7.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7747    6.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0603    6.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    6.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6313    6.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9169    7.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9169    6.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2024    6.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4879    6.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2266    6.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9410    7.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9410    6.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555    6.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700    6.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0844    6.1982    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3700    7.4357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  CHG  1  21  -1
M  END
> <ID>
CHEBI:83952

> <NAME>
(2E,6E,10E)-geranylgeranate

> <DEFINITION>
A polyunsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (2E,6E,10E)-geranylgeranic acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
(2E,6E,10E)-geranylgeranate

> <IUPAC_NAME>
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate

> <FORMULA>
C20H31O2

> <MASS>
303.45950

> <MONOISOTOPIC_MASS>
303.23295

> <CHARGE>
-1

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C([O-])=O

> <INCHI>
InChI=1S/C20H32O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h9,11,13,15H,6-8,10,12,14H2,1-5H3,(H,21,22)/p-1/b17-11+,18-13+,19-15+

> <INCHIKEY>
SZNLKILVMCHHSD-OZFNKYQOSA-M

> <PUBMED_CITATION>
19933331

$$$$