LMFA03010134
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
    9.5461    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5461    4.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5949    5.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0072    4.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5949    3.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3550    5.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2210    4.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0870    5.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9531    4.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8190    5.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6851    4.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5512    5.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3550    3.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2210    3.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0870    3.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9531    3.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8190    3.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6851    3.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5512    3.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4172    3.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2859    6.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4172    4.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5512    6.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0870    2.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2859    2.5733    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
  7  8  1  0  0  0  0
  8  9  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
  1 13  1  1  0  0  0
 13 14  2  0  0  0  0
 14 15  1  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  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  2  0  0  0  0
 12 22  1  0  0  0  0
 12 23  2  0  0  0  0
 15 24  1  6  0  0  0
  5 25  1  6  0  0  0
M  END
> <LM_ID>
LMFA03010134

> <COMMON_NAME>
PGE1

> <SYSTEMATIC_NAME>
9-oxo-11R,15S-dihydroxy-13E-prostaenoic acid

> <FORMULA>
C20H34O5

> <MASS>
354.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Prostaglandin E1

> <INCHI_KEY>
GMVPRGQOIOIIMI-DWKJAMRDSA-N

> <INCHI>
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1

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

> <KEGG_ID>
C04741

> <HMDB_ID>
HMDB0001442

> <CHEBI_ID>
15544

> <ABBREVIATION>
FA 20:3;O3

> <CAYMAN_ID>
13010

> <SWISSLIPIDS_ID>
SLM:000390038

> <PUBCHEM_COMPOUND_ID>
5280723

> <LIPIDBANK_ID>
XPR1400

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

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

> <ALT_SUB_CLASSES>
Carbocyclic fatty acids [FA0114]; Hydroxy fatty acids [FA0105]; Oxo fatty acids [FA0106]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$