KEGG   COMPOUND: C20994Help
Entry
C20994                      Compound                               

Name
S-(Hercyn-2-yl)-L-cysteine S-oxide
Formula
C12H21N4O5S
Exact mass
333.1233
Mol weight
333.3839
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00340  Histidine metabolism
map01100  Metabolic pathways
Enzyme
1.14.99.51      3.5.1.118       4.4.1.36
Other DBs
PubChem: 254741452
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    24.4301  -25.0601
            2   C1b C    25.6425  -25.7601
            3   C1c C    26.8550  -25.0601
            4   C6a C    28.0675  -25.7601
            5   O6a O    29.2799  -25.0601
            6   O6a O    28.0675  -27.1601
            7   N1d N    26.8550  -23.6603 #+
            8   C1a C    28.0863  -22.9493
            9   C1a C    25.6614  -22.9711
            10  C1a C    26.8550  -22.2603
            11  C8x C    24.2838  -23.6678
            12  N4x N    22.9143  -23.3767
            13  C8y C    22.2143  -24.5891
            14  N5x N    23.1511  -25.6295
            15  S4a S    20.8001  -24.7381
            16  C1b C    19.9600  -23.5826
            17  C1c C    18.5571  -23.7305
            18  C6a C    17.7312  -22.5944
            19  O3c O    20.2396  -25.9973
            20  N1a N    17.9871  -25.0118
            21  O6a O    16.3164  -22.7433
            22  O6a O    18.2908  -21.3362
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 2
            6     3   7 1 #Down
            7     7   8 1
            8     7   9 1
            9     7  10 1
            10    1  11 2
            11   11  12 1
            12   12  13 1
            13   13  14 2
            14    1  14 1
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   15  19 2
            20   17  20 1 #Down
            21   18  21 1
            22   18  22 2

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