KEGG   COMPOUND: C21180
Entry
C21180                      Compound                               
Name
2-Dehydro-3,6-dideoxy-6-sulfo-D-gluconate;
2-Keto-3,6-dideoxy-6-sulfogluconate
Formula
C6H10O8S
Exact mass
242.0096
Mol weight
242.21
Structure
Reaction
R11213 R11214
Enzyme
4.1.2.58        4.2.1.162
Other DBs
PubChem: 315431303
LinkDB
KCF data

ATOM        15
            1   C1b C    12.7597  -12.5300
            2   C1c C    13.9722  -11.8300
            3   C1c C    15.1846  -12.5300
            4   C1b C    16.3970  -11.8300
            5   C5a C    17.6095  -12.5300
            6   C6a C    18.8219  -11.8300
            7   O6a O    20.0344  -12.5300
            8   O6a O    18.8219  -10.4300
            9   O5a O    17.6095  -13.9297
            10  O1a O    15.1846  -13.9300
            11  O1a O    13.9722  -10.4303
            12  S4a S    11.3597  -12.5300
            13  O1d O    11.3597  -11.1300
            14  O1d O     9.9597  -12.5300
            15  O1d O    11.3597  -13.9300
BOND        14
            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     6   8 2
            8     5   9 2
            9     3  10 1 #Down
            10    2  11 1 #Up
            11    1  12 1
            12   12  13 2
            13   12  14 2
            14   12  15 1

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