LMFA03070061
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
   -0.4385   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4385   -0.7595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4385    0.7595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220   -0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2059   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0898   -0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9737   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8575   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7414   -0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6253   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5092   -0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3931   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2770   -0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1608   -0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0447   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9286   -0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8125   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6964   -0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5803   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4641   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3480   -0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2319   -0.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5092   -1.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8125    0.7595    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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  1  1  0  0  0
 17 24  1  6  0  0  0
M  END
> <LM_ID>
LMFA03070061

> <COMMON_NAME>
9,15-diHEPE

> <SYSTEMATIC_NAME>
9S,15S-dihydroxy-5Z,7E,11Z,13E,17Z-eicosapentaenoic acid

> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosapentaenoic acids [FA0307]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
USFLBPHJECVHHL-PQHBQWAWSA-N

> <INCHI>
InChI=1S/C20H30O4/c1-2-3-8-13-18(21)15-10-7-11-16-19(22)14-9-5-4-6-12-17-20(23)24/h3-5,7-11,14-15,18-19,21-22H,2,6,12-13,16-17H2,1H3,(H,23,24)/b5-4-,8-3-,11-7-,14-9+,15-10+/t18-,19+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119156

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
33050

> <CITATION>
34902567

$$$$