KEGG   COMPOUND: C13802Help
Entry
C13802                      Compound                               

Name
Prostaglandin D3
Formula
C20H30O5
Exact mass
350.2093
Mol weight
350.4492
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C13802  Prostaglandin D3
BRITE hierarchy
Other DBs
CAS: 
71902-47-1
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C1y C    21.7797  -14.9852
            2   C1y C    21.7743  -16.3808
            3   C1y C    20.4767  -14.5046
            4   C1b C    22.9496  -13.8559
            5   C5x C    20.3782  -16.7514
            6   C2b C    22.9264  -17.0701
            7   C1x C    19.6080  -15.5933
            8   O1a O    20.0945  -13.1494
            9   C2b C    24.1889  -14.4639
            10  O5x O    19.8860  -18.0719
            11  C2b C    24.1253  -16.3692
            12  C2b C    25.5731  -14.4639
            13  C1c C    25.3297  -17.0468
            14  C1b C    26.7717  -13.7632
            15  C1b C    26.5285  -16.3520
            16  O1a O    25.3240  -18.4541
            17  C1b C    27.9764  -14.2712
            18  C2b C    27.7389  -17.0410
            19  C1b C    29.1693  -13.5646
            20  C6a C    30.3739  -14.0727
            21  O6a O    31.5727  -13.3661
            22  O6a O    30.3856  -15.4567
            23  C2b C    29.1343  -17.0358
            24  C1b C    30.3964  -16.1944
            25  C1a C    31.6118  -16.8956
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   19  20 1
            20   20  21 1
            21   20  22 2
            22    5   7 1
            23   18  23 2
            24   23  24 1
            25   24  25 1

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