C00696


Entry
C00696                      Compound                               
Name
Prostaglandin D2;
(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate;
(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate;
PGD2
Formula
C20H32O5
Exact mass
352.225
Mol weight
352.4651
Structure
Reaction
R02266 R02684 R02799 R02800 R02801
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04080  Neuroactive ligand-receptor interaction
map04664  Fc epsilon RI signaling pathway
map04726  Serotonergic synapse
map05143  African trypanosomiasis
map05310  Asthma
Enzyme
1.1.1.188       1.1.1.196       5.3.99.2
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C00696  Prostaglandin D2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C00696  Prostaglandin D2
Other DBs
CAS: 41598-07-6
PubChem: 3964
ChEBI: 15555
LIPIDMAPS: LMFA03010004
PDB-CCD: PG2[PDBj]
3DMET: B01315
NIKKAJI: J16.416J
KCF data

ATOM        25
            1   C1y C    21.7790  -14.9846
            2   C1y C    21.7970  -16.3802
            3   C1y C    20.5462  -14.5040
            4   C1b C    23.0189  -13.8554
            5   C5x C    20.4476  -16.7508
            6   C2b C    22.9957  -17.0694
            7   C1x C    19.6774  -15.5927
            8   O1a O    20.1639  -13.1489
            9   C2b C    24.2581  -14.4633
            10  O5x O    19.9554  -18.0711
            11  C2b C    24.1944  -16.3686
            12  C2b C    25.6422  -14.4633
            13  C1c C    25.3989  -17.0462
            14  C1b C    26.8408  -13.7627
            15  C1b C    26.5976  -16.3513
            16  O1a O    25.3932  -18.4534
            17  C1b C    28.0454  -14.4576
            18  C1b C    27.8080  -17.0403
            19  C1b C    29.2383  -13.7511
            20  C1b C    29.0010  -16.3454
            21  C6a C    30.4429  -14.4460
            22  C1b C    30.1996  -17.0346
            23  O6a O    31.6416  -13.7395
            24  O6a O    30.4545  -15.8300
            25  C1a C    31.4042  -16.3397
BOND        25
            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 2
            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