COMPOUND: C04794
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Entry
C04794 Compound
Name
3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine;
3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose
Formula
C14H21NO11
Exact mass
379.1115
Mol weight
379.3166
Structure
Mol file
KCF file
DB search
Remark
Same as:
G02170
Reaction
R02465
Enzyme
4.2.2.1
Other DBs
PubChem:
7357
ChEBI:
16126
NIKKAJI:
J2.751.688B
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KCF data
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ATOM 26
1 C1y C 24.4514 -19.0719
2 C1y C 25.6521 -18.3679
3 O2a O 24.4452 -20.5752
4 C1y C 23.2698 -18.3679
5 C1y C 25.6521 -16.9850
6 N1b N 26.8337 -19.0530
7 C1y C 23.1937 -21.2604
8 C1y C 23.2698 -16.9850
9 O1a O 22.0817 -19.0468
10 O2x O 24.4514 -16.3061
11 O1a O 26.8337 -16.1599
12 C5a C 28.3061 -18.2656
13 O2x O 21.9994 -20.5752
14 C1y C 23.1937 -22.6432
15 C1b C 22.0817 -16.3061
16 C1a C 29.4876 -18.9505
17 O5a O 28.2994 -16.9648
18 C2y C 20.8115 -21.2604
19 C1y C 21.9994 -23.3411
20 O1a O 24.3816 -23.3221
21 O1a O 22.0817 -14.9359
22 C2x C 20.8115 -22.6432
23 C6a C 19.6297 -20.5752
24 O1a O 21.9932 -24.7050
25 O6a O 19.6297 -19.2114
26 O6a O 18.4481 -21.2604
BOND 27
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 7 3 1 #Up
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1
13 7 14 1
14 8 15 1 #Up
15 12 16 1
16 12 17 2
17 13 18 1
18 14 19 1
19 14 20 1 #Down
20 15 21 1
21 18 22 2
22 18 23 1
23 19 24 1 #Up
24 23 25 1
25 23 26 2
26 8 10 1
27 19 22 1
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