LMFA08020089
  LIPID_MAPS_STRUCTURE_DATABASE

 34 33  0  0  0  0  0  0  0  0999 V2000
   22.1745    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5984    5.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1799    6.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6786    7.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1480    8.0054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.5904    8.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1429    9.2173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2084    8.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2910    5.8280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3961    7.5982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6516    8.5151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6701    8.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6701    8.8211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9234    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1773    8.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4311    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6849    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9388    8.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1926    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4464    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7003    8.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9541    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2080    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4618    8.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7156    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9695    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2232    8.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4770    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7309    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9847    8.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2385    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4924    7.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7462    8.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.5982    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  2  0  0  0  0
  5 10  1  6  0  0  0
  5 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  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  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020089

> <COMMON_NAME>
N-docosahexaenoyl glutamic acid

> <SYSTEMATIC_NAME>
N-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-glutamic acid

> <FORMULA>
C27H39NO5

> <MASS>
457.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NMAOXADCTJAFFT-PJEZTNATSA-N

> <INCHI>
InChI=1S/C27H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)28-24(27(32)33)22-23-26(30)31/h3-4,6-7,9-10,12-13,15-16,18-19,24H,2,5,8,11,14,17,20-23H2,1H3,(H,28,29)(H,30,31)(H,32,33)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t24-/m0/s1

> <SMILES>
OC(=O)CC[C@]([H])(NC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
132485

> <ABBREVIATION>
NAGlu 22:6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52922058

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
19584404

$$$$