LMFA02000228
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   17.9711    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2566    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5422    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8277    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1132    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3987    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2566    7.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6843    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9698    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2552    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5408    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7158    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  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
 15 21  1  1  0  0  0
M  END
> <LM_ID>
LMFA02000228

> <COMMON_NAME>
13S-HODE

> <SYSTEMATIC_NAME>
13S-hydroxy-9Z,11E-octadecadienoic acid

> <FORMULA>
C18H32O3

> <MASS>
296.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(9Z, 11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid; 13-HODE

> <INCHI_KEY>
HNICUWMFWZBIFP-IRQZEAMPSA-N

> <INCHI>
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1

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

> <KEGG_ID>
C14762

> <HMDB_ID>
HMDB0004667

> <CHEBI_ID>
34154

> <ABBREVIATION>
FA 18:2;O

> <CAYMAN_ID>
38610

> <SWISSLIPIDS_ID>
SLM:000501150

> <PUBCHEM_COMPOUND_ID>
6443013

> <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; 3460

> <CITATION>
16624487; 17805822

$$$$