LMFA04010090
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0     0  0            999 V2000
   -0.4417    0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417   -0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2218    0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1121    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0024    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8926    0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7829    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6732    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4537    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3440    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2342    0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1245    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0148    0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9050    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7372    0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7143    0.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3220   -0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7143   -1.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7372   -0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9050   -1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0148   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1245    1.6576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9782    1.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9782   -2.2825    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
  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  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
 18 17  1  1  0  0  0
 18 22  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
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 15 25  1  0  0  0  0
 19 26  1  6  0  0  0
 21 27  1  6  0  0  0
M  END
> <LM_ID>
LMFA04010090

> <COMMON_NAME>
(+/-)13-F4t-NeuroP

> <SYSTEMATIC_NAME>
(4Z,7Z,10Z,14E)-15-((1S,2R,3R,5S)-2-ethyl-3,5-dihydroxycyclopentyl)-13-hydroxypentadeca-4,7,10,14-tetraenoic acid

> <FORMULA>
C22H34O5

> <MASS>
378.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Neuroprostanes [FA0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(13,17S,19R)-13-F4-NeuroP[16S,20R]

> <INCHI_KEY>
BGXODHLJNXZNNX-IEYZBXIBSA-N

> <INCHI>
InChI=1S/C22H34O5/c1-2-18-19(21(25)16-20(18)24)15-14-17(23)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-21,23-25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17?,18-,19+,20-,21+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131840412

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$