KEGG   COMPOUND: C00427Help
Entry
C00427                      Compound                               

Name
Prostaglandin H2;
(5Z,13E)-(15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate;
(5Z,13E,15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate;
PGH2;
(5Z,9alpha,11alpha,13E,15S)-9,11-Epidioxy-15-hydroxy-prosta-5,13-dienoate
Formula
C20H32O5
Exact mass
352.225
Mol weight
352.4651
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04611  Platelet activation
map04723  Retrograde endocannabinoid signaling
map04726  Serotonergic synapse
map04921  Oxytocin signaling pathway
map07034  Eicosanoids
map07035  Prostaglandins
Enzyme
1.11.1.20       1.14.99.1       5.3.99.2        5.3.99.3        
5.3.99.4        5.3.99.5
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C00427  Prostaglandin H2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C00427  Prostaglandin H2
BRITE hierarchy
Other DBs
CAS: 42935-17-1
PubChem: 3717
ChEBI: 15554
ChEMBL: CHEMBL1743209 CHEMBL2074582
LIPIDMAPS: LMFA03010010
LipidBank: XPR1798
3DMET: B01243
NIKKAJI: J16.429A
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1y C    22.0683  -14.7876
            2   C1y C    22.0626  -16.1406
            3   C1y C    20.7794  -14.3736
            4   C1b C    23.4504  -13.5629
            5   C1y C    20.7911  -16.5665
            6   C2b C    23.2348  -16.8114
            7   C1x C    19.9921  -15.4758
            8   O2x O    19.4381  -14.3736
            9   C2b C    24.6110  -14.2452
            10  O2x O    19.4497  -16.5605
            11  C2b C    24.4011  -16.1406
            12  C2b C    25.9466  -14.2452
            13  C1c C    25.5676  -16.8114
            14  C1b C    27.1071  -13.5629
            15  C1b C    26.7339  -16.1406
            16  O1a O    25.5676  -18.1585
            17  C1b C    28.2677  -14.2335
            18  C1b C    27.9003  -16.8114
            19  C1b C    29.4282  -13.5570
            20  C1b C    29.0783  -16.1406
            21  C6a C    30.5888  -14.2219
            22  C1b C    30.2331  -16.8114
            23  O6a O    31.7786  -13.5163
            24  O6a O    30.6005  -15.5925
            25  C1a C    31.4111  -16.1406
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1 #Down
            10    6  11 2
            11    9  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1 #Down
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25    5   7 1
            26    8  10 1

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