Mrv0541 09161416222D          

 19 18  0  0  0  0            999 V2000
   17.7789   -2.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0634   -3.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3475   -2.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6318   -3.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9160   -2.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2002   -3.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4843   -2.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7685   -3.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0528   -2.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3370   -3.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3370   -4.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0515   -4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7659   -4.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4804   -4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1949   -4.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9094   -4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6238   -4.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4921   -3.1864    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.7815   -1.9467    0.0000 O   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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  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  1  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
  1 18  1  0  0  0  0
  1 19  2  0  0  0  0
M  CHG  1  18  -1
M  END
> <ID>
CHEBI:78990

> <NAME>
(10Z)-heptadecenoate

> <DEFINITION>
A monounsaturated fatty acid anion that is the conjugate base of (10Z)-heptadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
cis-10-heptadecenoate

> <IUPAC_NAME>
(10Z)-heptadec-10-enoate

> <FORMULA>
C17H31O2

> <MASS>
267.42740

> <MONOISOTOPIC_MASS>
267.23295

> <CHARGE>
-1

> <SMILES>
CCCCCC\C=C/CCCCCCCCC([O-])=O

> <INCHI>
InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,9-16H2,1H3,(H,18,19)/p-1/b8-7-

> <INCHIKEY>
GDTXICBNEOEPAZ-FPLPWBNLSA-M

> <PUBMED_CITATION>
20671299

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