PABA
  Ketcher 12232320092D 1   1.00000     0.00000     0

 29 29  0  0  0  0  0  0  0  0999 V2000
   -1.1062   -0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9971   -0.6364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8631   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8631    0.8636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1062    0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2401    1.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6259    0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6259   -0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2402   -0.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4919    1.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4919    2.3177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3579    0.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4629   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0629   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4629   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8629   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2629   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8629   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6629   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4629   -0.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  1  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9  1  2  0     0  0
  7 10  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
  3 13  1  0      
 13 14  1  0      
 14 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  2  0      
 18 19  1  0      
 19 20  1  0      
 20 21  2  0      
 21 22  1  0      
 22 23  1  0      
 23 24  2  0      
 24 25  1  0      
 25 26  1  0      
 26 27  1  0      
 27 28  1  0      
 28 29  1  0      
M  END
> <LM_ID>
LMFA0805B031

> <COMMON_NAME>
PABA 18:3(6Z,9Z,12Z)

> <SYSTEMATIC_NAME>
N-(6Z,9Z,12Z-octadecatrienoyl)-4-aminobenzoic acid

> <FORMULA>
C25H35NO3

> <MASS>
397.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active (generated by computational methods)

> <REFS>
-

$$$$