KEGG   COMPOUND: C04685
Entry
C04685                      Compound                               
Name
(13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoate;
Prostaglandin A1;
PGA1
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.46
Structure
Reaction
R04565
Enzyme
5.3.3.9
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C04685  Prostaglandin A1
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C04685  Prostaglandin A1
Other DBs
CAS: 14152-28-4
PubChem: 7266
ChEBI: 15545
LIPIDMAPS: LMFA03010005
PDB-CCD: 8PG[PDBj] RPG[PDBj]
NIKKAJI: J15.628K
LinkDB
KCF data

ATOM        24
            1   C1y C    21.9188  -15.1595
            2   C1y C    21.8837  -16.5627
            3   C5x C    20.5916  -14.6976
            4   C1b C    23.1174  -14.4579
            5   C2x C    20.5390  -16.9720
            6   C2b C    23.0997  -17.2585
            7   C2x C    19.7498  -15.8260
            8   O5x O    20.1706  -13.3646
            9   C1b C    24.3334  -15.1537
            10  C2b C    24.3042  -16.5627
            11  C1b C    25.5379  -14.4579
            12  C1c C    25.5203  -17.2526
            13  C1b C    26.7539  -15.1537
            14  C1b C    26.7305  -16.5510
            15  O1a O    25.4326  -18.6792
            16  C1b C    27.9701  -14.4579
            17  C1b C    27.9408  -17.2526
            18  C1b C    29.1744  -15.1537
            19  C1b C    29.1570  -16.5510
            20  C6a C    30.3904  -14.4579
            21  C1b C    30.3670  -17.2526
            22  O6a O    31.5949  -15.1537
            23  O6a O    30.3904  -13.0547
            24  C1a C    31.5773  -16.5510
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     6  10 2
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   12  15 1 #Down
            15   13  16 1
            16   14  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24    5   7 2

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