LMFA08020094
  LIPID_MAPS_STRUCTURE_DATABASE

 36 36  0     0  0            999 V2000
   26.1234    8.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7521    8.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0830    9.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6409   10.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0767   11.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4199   10.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1351    9.3357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4571   10.4916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2198    9.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2198   10.8774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1401    8.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5416    7.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9262    6.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9093    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5078    7.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3554    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4907    9.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6260    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7612    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8965    9.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0317    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1669    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3022    9.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4374    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5727    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7078    9.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8432    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9785    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1137    9.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2490    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3842    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5194    9.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6546    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7899    9.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9251    9.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    9.3357    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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  1  1  0  0  0  0
  9 16  1  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  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020094

> <COMMON_NAME>
N-docosahexaenoyl phenylalanine

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

> <FORMULA>
C31H41NO3

> <MASS>
475.31

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FUOZUQXXOVQAMJ-ZANAJQNJSA-N

> <INCHI>
InChI=1S/C31H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(33)32-29(31(34)35)27-28-24-21-20-22-25-28/h3-4,6-7,9-10,12-13,15-16,18-22,24-25,29H,2,5,8,11,14,17,23,26-27H2,1H3,(H,32,33)(H,34,35)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t29-/m0/s1

> <SMILES>
C1(C=CC=CC=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>
HMDB0062333

> <CHEBI_ID>
165536

> <ABBREVIATION>
NAPhe 22:6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52922060

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty amides [FA08]

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

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
19584404

$$$$