Mrv0541 02171517152D          

 16 15  0  0  0  0            999 V2000
    6.3903   -4.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3903   -5.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6758   -4.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6758   -6.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9613   -4.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9613   -5.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1048   -4.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8192   -4.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1047   -6.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8192   -5.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5337   -4.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2481   -4.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5335   -6.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9626   -4.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6771   -4.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9627   -3.7279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
> <ID>
CHEBI:28875

> <NAME>
tetradecanoic acid

> <DEFINITION>
A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:278516; CHEBI:44232; CHEBI:73168; CHEBI:26897; CHEBI:7056

> <SYNONYM>
tetradecoic acid; Tetradecanoic acid; n-Tetradecoic acid; n-tetradecanoic acid; n-Tetradecan-1-oic acid; Myristinsaeure; Myristic acid; MYRISTIC ACID; Myristic acid; CH3-[CH2]12-COOH; C14; acide tetradecanoique; 14:00; 14:0; 14; 1-tetradecanecarboxylic acid

> <IUPAC_NAME>
myristic acid

> <FORMULA>
C14H28O2

> <MASS>
228.37090

> <MONOISOTOPIC_MASS>
228.20893

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCC(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)

> <INCHIKEY>
TUNFSRHWOTWDNC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
508624

> <CAS_REGISTRY_NUMBER>
544-63-8

> <GMELIN_REGISTRY_NUMBER>
242115

> <REAXYS_REGISTRY_NUMBER>
508624

> <CHEMIDPLUS>
544-63-8

> <DRUGBANK_ACCESSION>
DB08231

> <KEGG_COMPOUND_ACCESSION>
C06424

> <KNAPSACK_ACCESSION>
C00001228

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01010014

> <METACYC_ACCESSION>
CPD-7836

> <NIST_CHEMISTRY_WEBBOOK>
544-63-8

> <PDBECHEM_ACCESSION>
MYR

> <WIKIPEDIA_ACCESSION>
Myristic_acid

> <PUBMED_CITATION>
13129458; 19154695; 19761868; 19786012; 19902021; 19955401; 20634506; 20920594; 21955528; 22030224; 27206979; 28600633; 15149689; 16509590; 16554156; 6802973

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