LMFA03020030
  LIPID_MAPS_STRUCTURE_DATABASE

 28 27  0  0  0  0  0  0  0  0999 V2000
    5.9908    6.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9908    7.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7256    7.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7256    5.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4633    6.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4633    7.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2010    7.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9415    7.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792    7.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4154    7.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    7.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0071    7.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7461    7.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4852    7.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2230    7.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2010    5.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9415    6.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792    5.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4154    6.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9620    7.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9620    8.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7011    7.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0071    8.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7256    8.2865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7503    6.5329    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    9.9376    6.5345    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    6.8561    5.2475    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    5.1831    5.9448    0.0000 D   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
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 12 23  1  1  0  0  0
  3 24  1  1  0  0  0
 11 25  1  0  0  0  0
 10 26  1  0  0  0  0
  4 27  1  0  0  0  0
  1 28  1  0  0  0  0
M  END
> <LM_ID>
LMFA03020030

> <COMMON_NAME>
LTB4-d4

> <SYSTEMATIC_NAME>
5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid-d4

> <FORMULA>
C20H28D4O4

> <MASS>
340.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Leukotriene B4-d4

> <INCHI_KEY>
VNYSSYRCGWBHLG-PHKHWAPOSA-N

> <INCHI>
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1/i6D,9D,11D,15D

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

> <KEGG_ID>
C02165

> <HMDB_ID>
HMDB01085

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
29629

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061113

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$