LMFA04010435
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0  0  0  0  0  0  0  0999 V2000
   -0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0769   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7969   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2369   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6299   -0.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4201   -0.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9116   -1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4201   -1.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6299   -1.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569   -2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2369   -1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169   -2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0769   -2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3569   -2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631   -1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0831   -2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8031   -2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5231   -1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431   -2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6336    0.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5169   -2.8259    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  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  2  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
 10 25  2  0  0  0  0
 16 26  1  1  0  0  0
M  END
> <LM_ID>
LMFA04010435

> <COMMON_NAME>
14-epi-14-A4-NeuroP

> <SYSTEMATIC_NAME>
(Z)-6-((1R,2R)-2-((R,1E,5Z,8Z)-3-hydroxyundeca-1,5,8-trien-1-yl)-5-oxocyclopent-3-en-1-yl)hex-4-enoic acid

> <FORMULA>
C22H30O4

> <MASS>
358.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Neuroprostanes [FA0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(14R)-14-A4-NeuroP[7R,11R]

> <INCHI_KEY>
BMQKFEYQTUWADQ-SQAOGWLOSA-N

> <INCHI>
InChI=1S/C22H30O4/c1-2-3-4-5-6-8-11-19(23)16-14-18-15-17-21(24)20(18)12-9-7-10-13-22(25)26/h3-4,6-9,14-20,23H,2,5,10-13H2,1H3,(H,25,26)/b4-3-,8-6-,9-7-,16-14+/t18-,19-,20-/m1/s1

> <SMILES>
C(CC/C=C\C[C@H]1C(=O)C=C[C@H]1/C=C/[C@H](O)C/C=C\C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184823

> <ABBREVIATION>
FA 22:7;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131840754

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$