LMFA03010080
  LIPID_MAPS_STRUCTURE_DATABASE

 26 26  0     0  0            999 V2000
    8.0035    7.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0035    8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0444    8.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4517    8.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0444    7.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8194    9.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6927    8.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8194    7.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6927    7.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5661    7.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4395    7.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3127    7.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1862    7.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0595    7.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9329    7.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328    9.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7011    8.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5746    9.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4479    8.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3212    9.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1946    8.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0679    9.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1946    7.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328    6.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8782    6.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2791    6.3608    0.0000 C   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
  7 17  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  5 24  1  6  0  0  0
 10 25  1  6  0  0  0
 10 26  1  1  0  0  0
M  END
> <LM_ID>
LMFA03010080

> <COMMON_NAME>
15-methyl-15S-PGF2alpha

> <SYSTEMATIC_NAME>
9S,11R,15S-trihydroxy-15-methyl-5Z,13E-prostadienoic acid

> <FORMULA>
C21H36O5

> <MASS>
368.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
15-methyl-15S-Prostaglandin F2alpha; Carboprost

> <INCHI_KEY>
DLJKPYFALUEJCK-IIELGFQLSA-N

> <INCHI>
InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1

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

> <KEGG_ID>
C06872

> <HMDB_ID>
-

> <CHEBI_ID>
3403

> <ABBREVIATION>
FA 21:3;O3

> <CAYMAN_ID>
16743

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281075

> <LIPIDBANK_ID>
XPR1762

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
4416671

$$$$