LMFA04010005
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0     0  0            999 V2000
    5.6066    0.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4853    0.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5993   -0.6382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7287    0.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8430    0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9647    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    0.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1971    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3189    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5631    0.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486    0.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3270    0.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125    0.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0908    0.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9153    0.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8832    0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4853   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8832   -0.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9153   -0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0908   -1.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2088   -0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3269   -0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4449   -1.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5630   -0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3196    1.9452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1448    1.6394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1448   -1.9452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 19  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 12 25  1  0     0  0
 16 26  1  0     0  0
 18 27  1  0     0  0
M  END
> <LM_ID>
LMFA04010005

> <COMMON_NAME>
10-F4-NeuroP

> <SYSTEMATIC_NAME>
(4Z,7Z,11E)-12-(3,5-dihydroxy-2-((Z)-pent-2-en-1-yl)cyclopentyl)-10-hydroxydodeca-4,7,11-trienoic acid

> <FORMULA>
C22H34O5

> <MASS>
378.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Neuroprostanes [FA0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JXCVDPPSQVTMJG-HOGCIABESA-N

> <INCHI>
InChI=1S/C22H34O5/c1-2-3-8-12-18-19(21(25)16-20(18)24)15-14-17(23)11-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-21,23-25H,2,4,10-13,16H2,1H3,(H,26,27)/b7-5-,8-3-,9-6-,15-14+

> <SMILES>
C(CC/C=C\C/C=C\CC(O)/C=C/C1C(O)CC(O)C1C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101946671

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$