LMFA08020051
  LIPID_MAPS_STRUCTURE_DATABASE

 32 32  0     0  0            999 V2000
    6.6806    8.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6722    8.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6806    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6722    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5308    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3895    8.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5308    6.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3895    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3811    8.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3811    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2397    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0984    8.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9572    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8158    8.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6745    7.7486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2397    6.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0984    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9572    6.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8158    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6745    6.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8158    9.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6659    7.7486    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.6659    8.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6659    6.7571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6574    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1532    6.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1446    6.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6403    7.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1446    8.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1532    8.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6317    7.7486    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020051

> <COMMON_NAME>
N-(4-bromo-benzenesulfon) arachidonoyl amine

> <SYSTEMATIC_NAME>
N-(4-bromo-benzenesulfon)-5Z,8Z,11Z,14Z-eicosatetraenoyl amine

> <FORMULA>
C26H36NO3SBr

> <MASS>
521.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
N-(4-bromo-benzenesulfon)arachidonoylamide; arachidonoyl-(4'-bromobenzenesulfon)amide

> <INCHI_KEY>
XBZRFJGVPZVURY-DOFZRALJSA-N

> <INCHI>
InChI=1S/C26H36BrNO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)28-32(30,31)25-22-20-24(27)21-23-25/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,28,29)/b7-6-,10-9-,13-12-,16-15-

> <SMILES>
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\CCCC(=O)NS(C1C=CC(Br)=CC=1)(=O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283432

> <LIPIDBANK_ID>
XPR7065

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Halogenated fatty acids [FA0109]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
32630

> <CITATION>
7791088

$$$$