LMFA03050036
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -0.4361   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4361   -0.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4361    0.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3147   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1937   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9518   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8308   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7098   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5888   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4678   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3468   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2258   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1048   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9838   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8629   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7419   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6209   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4999   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3789   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2579   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1369   -0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1048    0.7553    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  1  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  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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
 14 23  1  6  0  0  0
M  END
> <LM_ID>
LMFA03050036

> <COMMON_NAME>
12S-HETrE

> <SYSTEMATIC_NAME>
12S-hydroxy-8Z,10E,14Z-eicosatrienoic acid

> <FORMULA>
C20H34O3

> <MASS>
322.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YYIXZLMPKIFFGQ-ONNNWOQGSA-N

> <INCHI>
InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h8,10-11,13-14,17,19,21H,2-7,9,12,15-16,18H2,1H3,(H,22,23)/b11-8-,13-10-,17-14+/t19-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
90995

> <ABBREVIATION>
-

> <CAYMAN_ID>
18483

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10314080

> <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>
9606

> <CITATION>
22984144

$$$$