Marvin  01081310172D          

 21 20  0  0  0  0            999 V2000
    3.9479   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3769   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0913   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8058   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5202   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2347   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9492   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6637   -1.8857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3781   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0926   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9492   -0.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8071   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9479   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624   -3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3769   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0913   -3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8058   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5202   -3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2347   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9492   -3.1232    0.0000 C   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  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
  1 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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <ID>
CHEBI:71464

> <NAME>
palmitoyl ethanolamide

> <DEFINITION>
An N-(long-chain-acyl)ethanolamine that is the ethanolamide of palmitic (hexadecanoic) acid.

> <STAR>
3

> <SYNONYM>
PEA; palmitoylethanolamide; Palmitoylethanolamide; Palmitoyl-EA; Palmitinsaeure-beta-hydroxyethylamid; Palmitic acid monoethanolamide; Palmitamide MEA; N-palmitoylethanolamine; N-hexadecanoylethanolamine; N-(2-Hydroxyethyl)palmitamide; Monoethanolamine palmitic acid amide; Hydroxyethylpalmitamide; hexadecanoyl ethanolamide; Anandamide (16:0)

> <IUPAC_NAME>
N-(2-hydroxyethyl)hexadecanamide

> <INN>
palmidrolum; palmidrol

> <FORMULA>
C18H37NO2

> <MASS>
299.49190

> <MONOISOTOPIC_MASS>
299.28243

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCC(=O)NCCO

> <INCHI>
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)

> <INCHIKEY>
HXYVTAGFYLMHSO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
544-31-0

> <REAXYS_REGISTRY_NUMBER>
1789716

> <CHEMIDPLUS>
544-31-0

> <KEGG_COMPOUND_ACCESSION>
C16512

> <KEGG_DRUG_ACCESSION>
D08328

> <LINCS_ACCESSION>
LSM-3518

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA08040013

> <WIKIPEDIA_ACCESSION>
Palmitoylethanolamide

> <PUBMED_CITATION>
16715117; 18501510; 19395322; 19535304; 19622239; 20462810; 21562563; 21564082; 21705689; 22172516; 22595021; 22912814; 23201387; 4559625; 4584774; 4704121; 5165412

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