KEGG   COMPOUND: C20995Help
Entry
C20995                      Compound                               

Name
gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide
Formula
C17H28N5O8S
Exact mass
462.1659
Mol weight
462.4979
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00340  Histidine metabolism
map01100  Metabolic pathways
Enzyme
1.14.99.50      3.5.1.118
Other DBs
PubChem: 254741453
PDB-CCD: 4NK[PDBj]
KCF data Show

ATOM        31
            1   C8y C    23.3100  -17.4300
            2   C1b C    24.5700  -18.1300
            3   C1c C    25.7600  -17.4300
            4   C6a C    26.9500  -18.1300
            5   O6a O    28.2100  -17.4300
            6   O6a O    26.9500  -19.5300
            7   N1d N    25.7600  -16.0300 #+
            8   C1a C    27.0200  -15.3300
            9   C1a C    24.5700  -15.4000
            10  C1a C    25.7600  -14.7000
            11  C8x C    23.1700  -16.1000
            12  N4x N    21.8400  -15.7500
            13  C8y C    21.1400  -17.0100
            14  N5x N    22.0500  -18.0600
            15  S4a S    19.7400  -17.1500
            16  C1b C    18.9000  -15.9600
            17  C1c C    17.5000  -16.1000
            18  C6a C    16.6600  -14.9800
            19  O3c O    19.1800  -18.4100
            20  N1b N    16.6600  -17.4300
            21  O6a O    15.2600  -15.1200
            22  O6a O    17.2200  -13.7200
            23  C6a C    10.2900  -18.2000
            24  C1c C    11.5500  -17.5000
            25  C1b C    12.7400  -18.2000
            26  C1b C    14.0000  -17.5000
            27  C5a C    15.1900  -18.2000
            28  N1a N    11.5500  -16.1000
            29  O6a O     9.1000  -17.5000
            30  O6a O    10.2900  -19.6700
            31  O5a O    15.1556  -19.5996
BOND        31
            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
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   24  28 1 #Up
            28   23  29 1
            29   23  30 2
            30   20  27 1
            31   27  31 2

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