COMPOUND: C21180
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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
Mol file
KCF file
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Reaction
R11213
R11214
Pathway
map00566
Sulfoquinovose metabolism
map01100
Metabolic pathways
Module
M01050
Sulfoquinovose degradation, sulfoglycolytic Entner-Doudoroff pathway, sulfoquinovose => (S)-3-sulfolactate
Enzyme
4.1.2.58
4.2.1.162
Other DBs
PubChem:
315431303
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KCF data
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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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