LMFA08020108
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0  0  0  0  0  0  0  0999 V2000
   18.8706    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3581    5.9510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.8394    6.6316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2718    7.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8345    7.8159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8756    7.3585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1048    6.2338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3543    7.1296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3953    6.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3953    7.4286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0293    5.9470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6658    6.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9366    6.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2076    6.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4784    6.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7494    6.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0202    6.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2911    6.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5620    6.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8329    6.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037    6.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3747    6.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6455    6.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9164    6.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1873    6.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4582    6.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    6.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.7152    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  2  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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020108

> <COMMON_NAME>
N-oleoyl threonine

> <SYSTEMATIC_NAME>
N-(9Z-octadecenoyl)-threonine

> <FORMULA>
C22H41NO4

> <MASS>
383.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NEMXEZCVUJCXDQ-PCXBEVNGSA-N

> <INCHI>
InChI=1S/C22H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(25)23-21(19(2)24)22(26)27/h10-11,19,21,24H,3-9,12-18H2,1-2H3,(H,23,25)(H,26,27)/b11-10-/t19-,21+/m1/s1

> <SMILES>
C[C@@H](O)[C@]([H])(NC(CCCCCCC/C=C\CCCCCCCC)=O)C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
131695

> <ABBREVIATION>
NAThr 18:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52922063

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
10116

> <CITATION>
19584404

$$$$