LMFA08020107
  LIPID_MAPS_STRUCTURE_DATABASE

 26 25  0  0  0  0  0  0  0  0999 V2000
   17.3841    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8704    5.9494    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3529    6.6284    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7843    7.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3480    7.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3868    7.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6200    6.2315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8690    7.1253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9121    6.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9121    7.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5401    5.9454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1843    6.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4568    6.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7294    6.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0019    6.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2746    6.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5471    6.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8196    6.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0922    6.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3647    6.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6372    6.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9098    6.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1824    6.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4549    6.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7275    6.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2315    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
  4  6  2  0  0  0  0
  3  7  1  6  0  0  0
  3  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 11  1  6  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020107

> <COMMON_NAME>
N-palmitoyl threonine

> <SYSTEMATIC_NAME>
N-hexadecanoyl-threonine

> <FORMULA>
C20H39NO4

> <MASS>
357.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amino acids [FA0805]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JOIXCEREMHWULC-MJGOQNOKSA-N

> <INCHI>
InChI=1S/C20H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23)21-19(17(2)22)20(24)25/h17,19,22H,3-16H2,1-2H3,(H,21,23)(H,24,25)/t17-,19+/m1/s1

> <SMILES>
C[C@@H](O)[C@]([H])(NC(CCCCCCCCCCCCCCC)=O)C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165559

> <ABBREVIATION>
NAThr 16L0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14239842

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
19584404

$$$$