LMFA04010525
  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
   -4.0025    0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8927    0.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7249    0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7020    0.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3097   -0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7020   -1.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7249   -0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8927   -1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0025   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1121   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2218   -1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4413   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4490   -1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3392   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1198   -1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0101   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1121    1.6576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9659    1.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9659   -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  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  1  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  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  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  6  0  0  0
 10 26  1  6  0  0  0
 12 27  1  6  0  0  0
M  END
> <LM_ID>
LMFA04010525

> <COMMON_NAME>
4-epi-F3t-NeuroP

> <SYSTEMATIC_NAME>
(4R,E)-6-((1S,2R,3R,5S)-3,5-dihydroxy-2-((2Z,5Z)-undeca-2,5,8-dien-1-yl)cyclopentyl)-4-hydroxyhex-5-enoic acid

> <FORMULA>
C22H36O5

> <MASS>
380.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Neuroprostanes [FA0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(4R,8S,10R)-4-F3-NeuroP[7S,11R]

> <INCHI_KEY>
PHXISEYOLYYFEN-COSWWLHQSA-N

> <INCHI>
InChI=1S/C22H36O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h6-7,9-10,12,14,17-21,23-25H,2-5,8,11,13,15-16H2,1H3,(H,26,27)/b7-6-,10-9-,14-12+/t17-,18+,19-,20+,21-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25259926

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$