COMPOUND: C01310
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Entry
C01310 Compound
Name
4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine
Formula
C14H21NO11
Exact mass
379.1115
Mol weight
379.3166
Structure
Mol file
KCF file
DB search
Remark
Same as:
G00375
Reaction
R03517
R03518
Enzyme
3.1.6.9
3.1.6.10
Other DBs
PubChem:
4525
ChEBI:
16655
PDB-CCD:
UCD
[
PDBj
]
NIKKAJI:
J430.616C
LinkDB
All DBs
KCF data
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ATOM 26
1 C1y C 26.2631 -15.7930
2 C1y C 27.5071 -15.0859
3 O2a O 26.2631 -17.2138
4 C1y C 25.0257 -15.0859
5 C1y C 27.5071 -13.6521
6 N1b N 28.7380 -15.7930
7 C1y C 25.0257 -17.9275
8 C1y C 25.0257 -13.6521
9 O1a O 23.8079 -15.7930
10 O2x O 26.2631 -12.9450
11 O1a O 28.7380 -12.9450
12 O2x O 23.7883 -17.2138
13 C1y C 25.0257 -19.3481
14 C1b C 23.8079 -12.9450
15 C2y C 22.5508 -17.9275
16 C1y C 23.7883 -20.0682
17 O1a O 26.2631 -20.0618
18 O1a O 22.7145 -13.8617
19 C2x C 22.5508 -19.3481
20 C6a C 21.4753 -17.3561
21 O1a O 23.7883 -21.4890
22 O6a O 20.3819 -18.2792
23 O6a O 21.4699 -16.2722
24 C5a C 29.9824 -15.1200
25 C1a C 31.1949 -15.8200
26 O5a O 29.9319 -13.7906
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 #Up
9 5 10 1
10 5 11 1 #Either
11 7 12 1
12 7 13 1
13 8 14 1 #Up
14 12 15 1
15 13 16 1
16 13 17 1 #Down
17 14 18 1
18 15 19 2
19 15 20 1
20 16 21 1 #Up
21 20 22 1
22 20 23 2
23 8 10 1
24 16 19 1
25 6 24 1
26 24 25 1
27 24 26 2
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