KEGG   COMPOUND: C16566Help
Entry
C16566                      Compound                               

Name
Glutathionylaminopropylcadaverine
Formula
C18H36N6O5S
Exact mass
448.2468
Mol weight
448.5806
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00480  Glutathione metabolism
Enzyme
3.5.1.-         6.3.1.9
Other DBs
PubChem: 51090895
ChEBI: 80571
NIKKAJI: J1.828.071J
KCF data Show

ATOM        30
            1   O6a O    13.5800  -10.5000
            2   C6a C    14.7924   -9.8000
            3   C1c C    16.0049  -10.5000
            4   C1b C    17.2173   -9.8000
            5   C1b C    18.4297  -10.5000
            6   C5a C    19.6422   -9.8000
            7   N1b N    20.8546  -10.5000
            8   C1c C    22.0670   -9.8000
            9   C5a C    23.2795  -10.5000
            10  N1b N    24.4919   -9.8000
            11  C1b C    25.7044  -10.5000
            12  C5a C    26.9168   -9.8000
            13  N1b N    28.1292  -10.5000
            14  C1b C    29.3417   -9.8000
            15  C1b C    30.5541  -10.5000
            16  C1b C    31.7665   -9.8000
            17  N1b N    32.9790  -10.5000
            18  C1b C    34.1914   -9.8000
            19  C1b C    35.4038  -10.5000
            20  C1b C    36.6163   -9.8000
            21  O6a O    14.7924   -8.4002
            22  O5a O    19.6422   -8.4003
            23  O5a O    23.2795  -11.8997
            24  O5a O    26.9168   -8.4004
            25  N1a N    16.0049  -11.8998
            26  C1b C    22.0670   -8.4001
            27  S1a S    23.2667   -7.7074
            28  C1b C    37.8240  -10.4973
            29  C1b C    39.0172   -9.8083
            30  N1a N    40.2056  -10.4944
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20    2  21 2
            21    6  22 2
            22    9  23 2
            23   12  24 2
            24    3  25 1 #Down
            25    8  26 1 #Up
            26   26  27 1
            27   20  28 1
            28   28  29 1
            29   29  30 1

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