LMFA08020134
  LIPID_MAPS_STRUCTURE_DATABASE

 35 35  0     0  0            999 V2000
   23.0042    8.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7146    9.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9586   10.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5891   11.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9514   11.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4693   11.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8876    9.6658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2515   10.9717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8533   10.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8533   11.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8666    7.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7373    6.8402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7951    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5780    7.2184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1490    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4445   10.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7400    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0357    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3313   10.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6269    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9226    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2179   10.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5136    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8092    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1048   10.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4005    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6961    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9915   10.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2871    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5827    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8784   10.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1740    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4694    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7650   10.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.6658    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
  1 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  1  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020134

> <COMMON_NAME>
N-docosahexaenoyl histidine

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

> <FORMULA>
C28H39N3O3

> <MASS>
465.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CSYKKUPVQHFOBC-FJXNLOIUSA-N

> <INCHI>
InChI=1S/C28H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(32)31-26(28(33)34)22-25-23-29-24-30-25/h3-4,6-7,9-10,12-13,15-16,18-19,23-24,26H,2,5,8,11,14,17,20-22H2,1H3,(H,29,30)(H,31,32)(H,33,34)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t26-/m0/s1

> <SMILES>
C1(N=CNC=1)C[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>
165535

> <ABBREVIATION>
NAHis 22:6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52922078

> <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

$$$$