COMPOUND: C00679
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Entry
C00679 Compound
Name
5-Dehydro-4-deoxy-D-glucarate;
(2R,3S)-2,3-Dihydroxy-5-oxohexanedioate
Formula
C6H8O7
Exact mass
192.027
Mol weight
192.1235
Structure
Mol file
KCF file
DB search
Reaction
R02279
R02752
R02754
R05608
R10847
R11075
R11083
Pathway
map00053
Ascorbate and aldarate metabolism
map01100
Metabolic pathways
Enzyme
4.1.2.20
4.2.1.40
4.2.1.41
4.2.1.42
4.2.1.156
5.5.1.27
Other DBs
PubChem:
3948
ChEBI:
16369
42819
PDB-CCD:
GLR
[
PDBj
]
3DMET:
B01308
NIKKAJI:
J913.057H
LinkDB
All DBs
KCF data
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ATOM 13
1 O6a O 23.3261 -18.9177
2 C6a C 24.5385 -18.2199
3 C1c C 25.7508 -18.9177
4 C1c C 26.9633 -18.2199
5 C1b C 28.1757 -18.9177
6 C5a C 29.3811 -18.2199
7 C6a C 30.5934 -18.9177
8 O6a O 31.8058 -18.2199
9 O6a O 24.5385 -16.8171
10 O5a O 29.3811 -16.8171
11 O6a O 30.5934 -20.3205
12 O1a O 25.7508 -20.3205
13 O1a O 26.9633 -16.8171
BOND 12
1 6 7 1
2 3 4 1
3 7 8 1
4 2 9 2
5 4 5 1
6 6 10 2
7 2 3 1
8 7 11 2
9 5 6 1
10 3 12 1 #Up
11 1 2 1
12 4 13 1 #Up
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