COMPOUND: C06118
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Entry
C06118 Compound
Name
4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate;
4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate;
Unsaturated digalacturonate
Formula
C12H16O12
Exact mass
352.0642
Mol weight
352.2482
Structure
Mol file
KCF file
DB search
Remark
Same as:
G10113
Reaction
R02361
R04382
Pathway
map00040
Pentose and glucuronate interconversions
map01100
Metabolic pathways
Enzyme
4.2.2.2
4.2.2.6
4.2.2.9
Other DBs
PubChem:
8378
ChEBI:
27450
3DMET:
B01975
NIKKAJI:
J2.761.155I
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All DBs
KCF data
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ATOM 24
1 C1y C 27.4831 -25.6542
2 C1y C 27.4831 -24.2502
3 O2a O 26.2649 -26.3531
4 C1y C 28.7014 -26.3596
5 O2x O 28.7014 -23.5513
6 C6a C 26.2649 -23.5513
7 C1y C 25.0723 -27.0584
8 C1y C 29.9131 -25.6542
9 O1a O 28.6820 -27.7636
10 C1y C 29.9131 -24.2502
11 O6a O 26.2586 -22.1536
12 O6a O 25.0595 -24.2437
13 O2x O 23.8606 -26.3596
14 C1y C 25.0723 -28.4560
15 O1a O 31.1185 -26.3596
16 O1a O 31.1185 -23.5449
17 C2y C 22.6423 -27.0584
18 C1y C 23.8606 -29.1615
19 O1a O 26.2649 -29.1615
20 C2x C 22.6423 -28.4560
21 C6a C 21.4243 -26.3596
22 O1a O 23.8414 -30.5655
23 O6a O 21.4178 -24.9554
24 O6a O 20.2123 -27.0455
BOND 25
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 7 3 1 #Down
7 4 8 1
8 4 9 1 #Up
9 5 10 1
10 6 11 1
11 6 12 2
12 7 13 1
13 7 14 1
14 8 15 1 #Down
15 10 16 1 #Up
16 13 17 1
17 14 18 1
18 14 19 1 #Down
19 17 20 2
20 17 21 1
21 18 22 1 #Up
22 21 23 1
23 21 24 2
24 8 10 1
25 18 20 1
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