LMFA03090009
  LIPID_MAPS_STRUCTURE_DATABASE

 35 34  0  0  0  0  0  0  0  0999 V2000
    8.1750    6.5255    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0270    6.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7649    6.0996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2407    6.0996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9785    6.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2767    6.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7163    6.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7163    5.3749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7649    5.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5028    6.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5028    7.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7849    9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5185    8.6866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7849    9.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0459    8.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3066    9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5673    8.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8280    9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0887    9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3494    8.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6100    9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8707    9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4053    8.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9780    7.4550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7174    7.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4559    7.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1960    7.4592    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9345    7.8840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6746    7.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4131    7.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1532    7.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8917    7.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6319    7.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9624    8.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.9362    0.0000 O   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  9  1  1  0  0  0
  3 10  1  0  0  0  0
 10  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  2  0  0  0  0
 13 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  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  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  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  1  0  0  0
 24 35  1  1  0  0  0
 27  1  1  6  0  0  0
M  END
> <LM_ID>
LMFA03090009

> <COMMON_NAME>
14,15-HxA3-D(11S)

> <SYSTEMATIC_NAME>
11S,15S-dihydroxy-14R-(S-cysteinyl-glycyl)-5Z,8Z,12E-eicosatrienoic acid

> <FORMULA>
C25H42N2O7S

> <MASS>
514.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hepoxilins [FA0309]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
14,15-Hepoxilin A3-D (11S)

> <INCHI_KEY>
PPVZAWNVARPNML-FSHNSKAYSA-N

> <INCHI>
InChI=1S/C25H42N2O7S/c1-2-3-9-13-21(29)22(35-18-20(26)25(34)27-17-24(32)33)16-15-19(28)12-10-7-5-4-6-8-11-14-23(30)31/h4,6-7,10,15-16,19-22,28-29H,2-3,5,8-9,11-14,17-18,26H2,1H3,(H,27,34)(H,30,31)(H,32,33)/b6-4-,10-7-,16-15+/t19-,20-,21-,22+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184610

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921903

> <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>
21046276

$$$$