ChEBI
  Marvin  06210614412D          

 24 24  0  0  1  0            999 V2000
    7.8648  -16.4725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5950  -16.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8642  -17.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0794  -17.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5782  -16.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5788  -17.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2931  -17.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7221  -17.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4367  -17.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1510  -17.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8656  -17.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5800  -17.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0078  -17.7091    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0078  -18.5341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0803  -16.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8668  -15.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2924  -16.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1174  -16.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8319  -16.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5463  -16.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2608  -16.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6897  -16.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9753  -16.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9753  -17.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
 15  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  2  0  0  0  0
  1  5  1  6  0  0  0
 17  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  6  2  0  0  0  0
 13  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 14  1  6  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <ID>
CHEBI:27555

> <NAME>
prostaglandin C2

> <DEFINITION>
A member of the class of prostaglandins C that is prosta-5,11,13-trien-1-oic acid carrying oxo and hydroxy substituents at positions 9 and 15 respectively (the 5Z,13E,15S-stereoisomer).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:8508; CHEBI:26319

> <SYNONYM>
Prostaglandin C2; PGC2

> <IUPAC_NAME>
(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,11,13-trien-1-oic acid

> <FORMULA>
C20H30O4

> <MASS>
334.44980

> <MONOISOTOPIC_MASS>
334.21441

> <CHARGE>
0

> <SMILES>
CCCCC[C@H](O)\C=C\C1=CCC(=O)[C@@H]1C\C=C/CCCC(O)=O

> <INCHI>
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-,18+/m0/s1

> <INCHIKEY>
CMBOTAQMTNMTBD-KLASNZEFSA-N

> <KEGG_COMPOUND_ACCESSION>
C05955

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03010133

$$$$