LMFA08020363
  LIPID_MAPS_STRUCTURE_DATABASE

 33 34  0     0  0            999 V2000
   10.3969   -4.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2977   -3.5447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3969   -5.1051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4892   -3.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5813   -4.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6733   -3.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7653   -3.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573   -4.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573   -5.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9699   -5.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -5.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823   -4.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9699   -3.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7449   -5.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206   -3.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7376   -2.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7567   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6323   -5.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5199   -5.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4075   -5.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2950   -5.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1825   -5.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0701   -5.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9576   -5.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8451   -5.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9576   -4.0648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5279   -4.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5018   -3.1696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2978   -2.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1638   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1639   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0298   -2.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8959   -2.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13  8  1  0     0  0
  8  7  1  6  0  0  0
  9 14  1  6     0  0
 12 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 13  1  0     0  0
 14 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 24 26  2  0     0  0
 12 27  1  6     0  0
 13 28  1  1     0  0
  2 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 30 32  1  0     0  0
 32 33  1  0     0  0
M  END
> <LM_ID>
LMFA08020363

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(5E,7E)-8-[(3aS,4R,5R,7aR)-4-[(1Z,3E)-5-oxo-5-(2-methyl-butylamino)-penta-1,3-dienyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]octa-5,7-dienoic acid

> <FORMULA>
C27H39NO3

> <MASS>
425.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WBGZKELJCWPLJG-LLNDUFDVSA-N

> <INCHI>
InChI=1S/C27H39NO3/c1-3-21(2)20-28-26(29)16-10-9-14-24-22(18-19-23-13-11-15-25(23)24)12-7-5-4-6-8-17-27(30)31/h4-5,7,9-10,12,14,16,18-19,21-25H,3,6,8,11,13,15,17,20H2,1-2H3,(H,28,29)(H,30,31)/b5-4+,12-7+,14-9-,16-10+/t21?,22-,23-,24-,25+/m1/s1

> <SMILES>
C(/C=C/C=C\[C@H]1[C@@]2([H])CCC[C@]2([H])C=C[C@H]1/C=C/C=C/CCCC(=O)O)(=O)NCC(CC)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NA 27:8;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118623

> <LIPIDBANK_ID>
-

> <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>
Dicarboxylic acids [FA0117]; Unsaturated fatty acids [FA0103]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
107395

> <CITATION>
34564183

$$$$