LMFA03050037
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
    6.6781    9.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6658    9.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6781    7.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6658    7.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    8.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5212    8.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3766    9.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5212    7.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3766    7.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3642    9.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3642    7.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2196    8.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750    9.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9304    8.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7856    9.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6410    8.7308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2196    7.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750    7.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9304    7.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7856    7.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6410    7.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7856   10.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6658    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 15 22  2  0  0  0  0
  4 23  1  1  0  0  0
M  END
> <LM_ID>
LMFA03050037

> <COMMON_NAME>
12S-HETrE

> <SYSTEMATIC_NAME>
12S-hydroxy-5Z,8Z,12Z-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>
RFAKHEWADWLSJX-GRRZJBAJSA-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/h7-11,13,19,21H,2-6,12,14-18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-/t19-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9923198

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
9606

> <CITATION>
22984144

$$$$