Ketcher 09031512192D 1   1.00000     0.00000     0

 16 15  0     0  0            999 V2000
    7.7458   -6.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7458   -7.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798   -5.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798   -7.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0137   -6.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0137   -7.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6119   -5.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778   -6.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6118   -7.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778   -7.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3439   -5.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2098   -6.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3436   -7.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0759   -5.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9419   -6.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0760   -4.5187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  7  1  1  0     0  0
  8  7  1  0     0  0
  9  2  1  0     0  0
 10  9  1  0     0  0
 11  8  1  0     0  0
 12 11  1  0     0  0
 13 10  1  0     0  0
 12 14  1  0     0  0
 14 15  1  0     0  0
 14 16  2  0     0  0
M  CHG  1  15  -1
M  END
> <ID>
CHEBI:30807

> <NAME>
tetradecanoate

> <DEFINITION>
A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:35292

> <SYNONYM>
tetradecoate; Tetradecanoate; tetradecanoate; n-tetradecoate; n-tetradecan-1-oate; myristate; CH3-[CH2]12-COO(-); 1-tetradecanecarboxylate

> <IUPAC_NAME>
tetradecanoate

> <FORMULA>
C14H27O2

> <MASS>
227.364

> <MONOISOTOPIC_MASS>
227.20165

> <CHARGE>
-1

> <SMILES>
C(CCCCCCCC)CCCCC([O-])=O

> <INCHI>
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/p-1

> <INCHIKEY>
TUNFSRHWOTWDNC-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3589340

> <GMELIN_REGISTRY_NUMBER>
335122

> <REAXYS_REGISTRY_NUMBER>
3589340

> <KEGG_COMPOUND_ACCESSION>
C06424

$$$$