LMFA03040013
  LIPID_MAPS_STRUCTURE_DATABASE

 30 29  0     0  0            999 V2000
    3.8754    1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8754    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -0.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7687    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7687    1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220    1.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7153    1.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6621    1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    1.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5555    1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5021    1.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4486    1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3953    1.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3420    1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6963   -0.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6430    0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5896   -0.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5364    0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4831   -0.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4297    0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6963   -1.1302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    2.5866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5961    0.5460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3420    0.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2918    1.8597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3022   -0.0472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5213    0.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1498    0.6516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0555   -0.9528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2778   -0.9233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
  4 15  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 15 21  1  6  0  0  0
  9 22  1  1  0  0  0
 10 23  1  6  0  0  0
 14 24  2  0  0  0  0
 14 25  1  0  0  0  0
 20 26  1  0     0  0
 20 27  1  0     0  0
 20 28  1  0     0  0
 19 29  1  0     0  0
 19 30  1  0     0  0
M  ISO  5  26   2  27   2  28   2  29   2  30   2
M  END
> <LM_ID>
LMFA03040013

> <COMMON_NAME>
Lipoxin A4-d5

> <SYSTEMATIC_NAME>
5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic-19,19,20,20,20-d5 acid

> <FORMULA>
C20H27D5O5

> <MASS>
357.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Lipoxins [FA0304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
LXA4-d5; 5S,6R-LipoxinA4-d5; 5(S),6(R),15(S)-TriHETE-d5

> <INCHI_KEY>
IXAQOQZEOGMIQS-YUMLLTTFSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1/i1D3,2D2

> <SMILES>
C(/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O)=C/C=C/[C@@H](O)CCCC([2H])([2H])C([2H])([2H])[2H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
10007737

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
139291900

> <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]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$