KEGG   COMPOUND: C12278Help
Entry
C12278                      Compound                               

Name
Copper gluconate
Formula
(C6H11O7)2. Cu
Exact mass
453.0306
Mol weight
453.8407
Structure
Mol fileKCF fileDB search
Remark
Same as: D02395
Other DBs
CAS: 527-09-3
PubChem: 14422
ChEBI: 31431
NIKKAJI: J6.667B
KCF data Show

ATOM        27
            1   O1a O    17.0893  -16.4508
            2   C1b C    18.3016  -15.7530
            3   C1c C    19.5140  -16.4508
            4   C1c C    20.7194  -15.7530
            5   C1c C    21.9319  -16.4508
            6   C1c C    23.1442  -15.7530
            7   C6a C    24.3567  -16.4508
            8   O6a O    25.5691  -15.7530 #-
            9   O1a O    19.5140  -17.8536
            10  O1a O    20.7123  -14.3503
            11  O1a O    21.9319  -17.8536
            12  O1a O    23.1442  -14.3503
            13  O6a O    24.3496  -17.8536
            14  O6a O    25.5629  -20.9072 #-
            15  C6a C    24.3479  -21.6006
            16  C1c C    23.1381  -20.8984
            17  C1c C    21.9231  -21.5917
            18  C1c C    20.7133  -20.8894
            19  C1c C    19.5053  -21.5829
            20  C1b C    18.2955  -20.8806
            21  O1a O    17.0805  -21.5741
            22  O1a O    21.9250  -22.9945
            23  O1a O    20.7184  -19.4868
            24  O1a O    19.5002  -22.9857
            25  O1a O    23.1503  -19.4956
            26  O6a O    24.3499  -23.0034
            27  Z   Cu   27.7684  -18.8546 #2+
BOND        24
            1     1   2 1
            2     7  13 2
            3     5   6 1
            4     6   7 1
            5     2   3 1
            6     7   8 1
            7     3   9 1 #Down
            8     3   4 1
            9     4  10 1 #Up
            10    5  11 1 #Up
            11    4   5 1
            12    6  12 1 #Up
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   17  22 1 #Up
            21   18  23 1 #Up
            22   19  24 1 #Down
            23   16  25 1 #Up
            24   15  26 2

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