Marvin  11181016472D          

 18 17  0  0  0  0            999 V2000
    3.8058  -21.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8058  -21.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0912  -20.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0912  -22.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3768  -21.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3768  -21.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2348  -21.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2348  -21.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5202  -20.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5202  -22.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6638  -21.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6638  -21.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9492  -20.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9492  -22.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3782  -20.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3782  -22.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0927  -21.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3782  -19.7903    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
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
> <ID>
CHEBI:15756

> <NAME>
hexadecanoic acid

> <DEFINITION>
A straight-chain, sixteen-carbon, saturated long-chain fatty acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24542; CHEBI:35978; CHEBI:24540; CHEBI:24550; CHEBI:44952; CHEBI:233028; CHEBI:14730; CHEBI:24541; CHEBI:29889

> <SYNONYM>
Pentadecanecarboxylic acid; Palmitinsaeure; Palmitinic acid; palmitic acid; Palmitic acid; PALMITIC ACID; Palmitate; n-hexadecoic acid; n-hexadecanoic acid; Hexaectylic acid; Hexadecylic acid; Hexadecylic acid; hexadecoic acid; Hexadecanoate; FA 16:0; CH3-[CH2]14-COOH; cetylic acid; C16:0; C16 fatty acid; C16; 16:00; 1-Pentadecanecarboxylic acid; 1-hexyldecanoic acid

> <IUPAC_NAME>
hexadecanoic acid

> <FORMULA>
C16H32O2

> <MASS>
256.42410

> <MONOISOTOPIC_MASS>
256.24023

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCC(O)=O

> <INCHI>
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

> <INCHIKEY>
IPCSVZSSVZVIGE-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
607489

> <CAS_REGISTRY_NUMBER>
57-10-3

> <GMELIN_REGISTRY_NUMBER>
190200

> <REAXYS_REGISTRY_NUMBER>
607489

> <CHEMIDPLUS>
57-10-3

> <DRUGBANK_ACCESSION>
DB03796

> <KEGG_COMPOUND_ACCESSION>
C00249

> <KEGG_DRUG_ACCESSION>
D05341

> <KNAPSACK_ACCESSION>
C00030479

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01010001

> <METACYC_ACCESSION>
PALMITATE

> <NIST_CHEMISTRY_WEBBOOK>
57-10-3

> <PDBECHEM_ACCESSION>
PLM

> <WIKIPEDIA_ACCESSION>
Palmitic_acid

> <PUBMED_CITATION>
12492626; 1589452; 17439666; 20001317; 22735334; 25584012; 28600633; 15357969; 16509590; 16884313; 17502136

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