KEGG   COMPOUND: C15450
Entry
C15450                      Compound                               

Name
S 1033;
(5Z,9alpha,11alpha,13E)-9,11-Dihydroxyprosta-5,13-dien-1-oic acid monosodium salt
Formula
C20H33O4. Na
Exact mass
360.2277
Mol weight
360.4634
Structure
Pathway
map07035  Prostaglandins
Other DBs
PubChem: 17396447
ChEBI: 79948
NIKKAJI: J609.496A
LinkDB
KCF data

ATOM        25
            1   C1y C    24.9659  -17.0450
            2   C1y C    24.9659  -15.6420
            3   C1y C    23.6315  -15.2084
            4   C1x C    22.8068  -16.3435
            5   C1y C    23.6315  -17.4786
            6   C1b C    26.1809  -14.9404
            7   C2b C    27.3961  -15.6420
            8   C2b C    28.7991  -15.6420
            9   C1b C    30.0393  -14.9404
            10  C1b C    31.2545  -15.6420
            11  C1b C    32.4695  -14.9404
            12  C6a C    33.6846  -15.6420
            13  O6a O    34.8997  -14.9404 #-
            14  O6a O    33.6846  -16.9748
            15  C2b C    26.1809  -17.7465
            16  C2b C    27.3961  -17.0450
            17  C1b C    28.6111  -17.7465
            18  C1b C    29.8262  -17.0450
            19  C1b C    31.0413  -17.7465
            20  C1b C    32.2564  -17.0450
            21  C1b C    33.4714  -17.7465
            22  C1a C    34.6865  -17.0450
            23  O1a O    23.2017  -13.8859
            24  O1a O    23.2017  -18.8010
            25  Z   Na   36.8900  -14.9800 #+
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 1 #Down
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 2
            15    1  15 1 #Up
            16   15  16 2
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23    3  23 1 #Down
            24    5  24 1 #Down

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