Marvin  04221012152D          

 18 17  0  0  0  0            999 V2000
   15.0097  -11.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2957  -11.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6193  -11.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9053  -11.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1913  -11.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4774  -11.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8010  -11.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0869  -11.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3730  -11.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6590  -11.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9826  -11.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2687  -11.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5546  -11.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407  -11.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1643  -11.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503  -11.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0097  -10.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7236  -11.9525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 18  1  1  0  0  0  0
 17  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <ID>
CHEBI:59265

> <NAME>
palmitelaidic acid

> <DEFINITION>
A straight-chain, monounsaturated, 16-carbon fatty acid with a trans-double bond at position C-9; the trans-isomer of palmitoleic acid and predominant trans-16:1 isomer in cheeses from goat and ewe milk. Major dietary sources are partly hydrogenated vegetable oils.

> <STAR>
3

> <SYNONYM>
trans-palmitoleic acid; trans-Delta(9)-hexadecenoic acid; trans-9-hexadecenoic acid; t-9-hexadecenoic acid; t-16:1D9; 9-trans-hexadecenoic acid; (E)-9-hexadecenoicacid; (9E)-hexadecenoic acid

> <IUPAC_NAME>
(9E)-hexadec-9-enoic acid

> <FORMULA>
C16H30O2

> <MASS>
254.40820

> <MONOISOTOPIC_MASS>
254.22458

> <CHARGE>
0

> <SMILES>
CCCCCC\C=C\CCCCCCCC(O)=O

> <INCHI>
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+

> <INCHIKEY>
SECPZKHBENQXJG-BQYQJAHWSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1725390

> <CAS_REGISTRY_NUMBER>
10030-73-6

> <CHEMIDPLUS>
10030-73-6

> <PUBMED_CITATION>
11026624; 5947520

$$$$