KEGG   COMPOUND: C01312Help
Entry
C01312                      Compound                               

Name
Prostaglandin I2;
(5Z,13E)-(15S)-6,9alpha-Epoxy-11alpha,15-dihydroxyprosta-5,13-dienoate;
Prostacyclin;
PGI2;
Epoprostenol
Formula
C20H32O5
Exact mass
352.225
Mol weight
352.4651
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Arachidonic acid metabolism
Metabolic pathways
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
VEGF signaling pathway
Platelet activation
Enzyme
1.1.1.231       5.3.99.4
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C01312  Prostaglandin I2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C01312  Prostaglandin I2
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC09 Epoprostenol
      D00106  Epoprostenol (USAN/INN)
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Pulmonary Antihypertensives
   Epoprostenol
    D00106  Epoprostenol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    prostaglandin I2 receptor
     Epoprostenol
      D00106  Epoprostenol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
35121-78-9
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C1y C    18.4186  -18.8892
            2   C1y C    17.1001  -18.4673
            3   C1y C    18.4129  -20.2841
            4   C1x C    19.1219  -17.6469
            5   O2x O    17.0884  -17.0374
            6   C1x C    16.2912  -19.5984
            7   C1y C    17.1175  -20.7178
            8   C2b C    19.6201  -20.9699
            9   C2y C    18.3954  -16.4102
            10  O1a O    16.6723  -22.0775
            11  C2b C    20.8157  -20.2841
            12  C2b C    19.6318  -15.6835
            13  C1c C    22.0112  -20.9699
            14  C1b C    23.2069  -20.2841
            15  O1a O    22.0112  -22.3471
            16  C1b C    24.4024  -20.9699
            17  C1b C    25.6155  -20.2841
            18  C1b C    26.7935  -20.9699
            19  C1a C    28.0067  -20.2841
            20  C1b C    19.6427  -14.2674
            21  C1b C    20.8626  -13.5757
            22  C1b C    20.8581  -12.1641
            23  C6a C    22.0702  -11.4591
            24  O6a O    23.2908  -12.1586
            25  O6a O    22.0657  -10.0608
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     7  10 1 #Down
            10    8  11 2
            11    9  12 2
            12   11  13 1
            13   13  14 1
            14   13  15 1 #Down
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19    5   9 1
            20    6   7 1
            21   12  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 2
            26   23  25 1

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