LMFA03010152
  LIPID_MAPS_STRUCTURE_DATABASE

 28 28  0     0  0            999 V2000
    8.0014    7.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0014    8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0434    9.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4514    8.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0434    7.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8163    9.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6884    9.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8163    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6884    7.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5606    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4328    7.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3052    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1773    7.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0495    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9218    7.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7323   10.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5606    6.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6955    9.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5677    9.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4400    9.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    9.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1843    9.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0567    9.5587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1843    8.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7323    6.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9289    9.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8011    9.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6734    9.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  6  0  0  0
  6  7  1  0  0  0  0
  1  8  1  1  0  0  0
  8  9  2  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  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  6  0  0  0
 10 17  1  6  0  0  0
  7 18  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMFA03010152

> <COMMON_NAME>
PGD2-EA

> <SYSTEMATIC_NAME>
N-(9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoyl)-ethanolamine

> <FORMULA>
C22H37NO5

> <MASS>
395.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Prostaglandin D2-EA; Prostamide-D2; PMD2

> <INCHI_KEY>
KEYDJKSQFDUAGF-YIRKRNQHSA-N

> <INCHI>
InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-20,24-26H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0013629

> <CHEBI_ID>
85174

> <ABBREVIATION>
NAE 20:4;O3

> <CAYMAN_ID>
12012

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283120

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty amides [FA08]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
N-acyl ethanolamines (endocannabinoids) [FA0804]; Hydroxy fatty acids [FA0105]; Oxo fatty acids [FA0106]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
9606

> <CITATION>
12244105

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