LMFA03020032
  LIPID_MAPS_STRUCTURE_DATABASE

 34 33  0  0  0  0  0  0  0  0999 V2000
   10.0836    9.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5716    9.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0836    8.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3578    9.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6314    9.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9051    9.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1788    9.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4525    9.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7262    9.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0061    8.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7387    7.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4586    8.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1912    7.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9110    8.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6436    7.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3634    8.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0960    7.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8158    8.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5485    7.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2682    8.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0009    7.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3634    8.8037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6499    6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9829    7.1690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9829    6.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8575    5.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5910    5.8069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5430    6.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4400    5.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1445    6.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6499    7.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8575    5.1131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4400    5.1682    0.0000 O   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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 23  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 24  1  0  0  0  0
 24 28  1  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
 24 32  2  0  0  0  0
 27 33  1  1  0  0  0
 30 34  1  0  0  0  0
 16 25  1  6  0  0  0
M  END
> <LM_ID>
LMFA03020032

> <COMMON_NAME>
14,15-LTD4

> <SYSTEMATIC_NAME>
15S-hydroxy,14R-(S-cysteinylglycinyl)-5Z,8Z,10E,12E-eicosatetraenoic acid

> <FORMULA>
C25H40N2O6S

> <MASS>
496.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Leukotrienes [FA0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
14,15-Leukotriene D4; EXD4

> <INCHI_KEY>
BUTLPEVGZIRJOA-SPCGXPCUSA-N

> <INCHI>
InChI=1S/C25H40N2O6S/c1-2-3-12-15-21(28)22(34-19-20(26)25(33)27-18-24(31)32)16-13-10-8-6-4-5-7-9-11-14-17-23(29)30/h4,6-10,13,16,20-22,28H,2-3,5,11-12,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b6-4-,9-7-,10-8+,16-13+/t20-,21-,22+/m0/s1

> <SMILES>
C(CCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
63985

> <ABBREVIATION>
-

> <CAYMAN_ID>
10011361

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607304

> <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>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
9606

> <CITATION>
19130894

$$$$