LMFA08020111
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0  0  0  0  0  0  0  0999 V2000
   19.6103    5.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1456    6.5779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.5760    7.3251    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.0510    8.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5706    8.6256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7139    8.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7692    6.8884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0434    7.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9902    8.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1596    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8424    6.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3064    6.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6228    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9391    6.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2554    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5717    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8880    6.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2043    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5206    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8369    6.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1533    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4696    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7858    6.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1021    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4186    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7348    6.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0511    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3673    6.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6837    7.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9902    7.4171    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 31  1  0  0  0  0
 31  9  2  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  1  0  0  0
 31 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  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020111

> <COMMON_NAME>
N-arachidonoyl isoleucine

> <SYSTEMATIC_NAME>
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-isoleucine

> <FORMULA>
C26H43NO3

> <MASS>
417.32

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PDJHDVCMHSOQTA-JIAPQDDQSA-N

> <INCHI>
InChI=1S/C26H43NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(28)27-25(26(29)30)23(3)5-2/h9-10,12-13,15-16,18-19,23,25H,4-8,11,14,17,20-22H2,1-3H3,(H,27,28)(H,29,30)/b10-9-,13-12-,16-15-,19-18-/t23-,25-/m0/s1

> <SMILES>
C(C)[C@H](C)[C@]([H])(NC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165532

> <ABBREVIATION>
NAIle 20:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52922064

> <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]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
10116

> <CITATION>
19584404

$$$$