Ketcher 09021511552D 1   1.00000     0.00000     0

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  4  5  1  0     0  0
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  8  9  2  0     0  0
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  8 10  1  0     0  0
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 17 18  1  0     0  0
 18 19  1  0     0  0
 19 21  1  0     0  0
  1 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 20 24  1  0     0  0
 21 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
M  END
> <ID>
CHEBI:87768

> <NAME>
N-hexacosanoylglycine

> <DEFINITION>
An N-acylglycine in which the acyl group is specified as hexacosanoyl.

> <STAR>
3

> <SYNONYM>
N-cerotoylglycine; hexacosanoylglycine; hexacosanamidoacetic acid; 2-hexacosanamidoacetic acid

> <IUPAC_NAME>
N-hexacosanoylglycine

> <FORMULA>
C28H55NO3

> <MASS>
453.742

> <MONOISOTOPIC_MASS>
453.41819

> <CHARGE>
0

> <SMILES>
C(CCCCCCC(=O)NCC(O)=O)CCCCCCCCCCCCCCCCCC

> <INCHI>
InChI=1S/C28H55NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(30)29-26-28(31)32/h2-26H2,1H3,(H,29,30)(H,31,32)

> <INCHIKEY>
YIUHXZHKDQGNOC-UHFFFAOYSA-N

> <PUBMED_CITATION>
12810727

$$$$