COMPOUND: C04540
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Entry
C04540 Compound
Name
N4-(Acetyl-beta-D-glucosaminyl)asparagine;
N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine;
1-beta-Aspartyl-N-acetyl-D-glucosaminylamine
Formula
C12H21N3O8
Exact mass
335.1329
Mol weight
335.3104
Structure
Mol file
KCF file
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Reaction
R01266
R03421
Enzyme
3.2.2.11
3.5.1.26
Other DBs
PubChem:
7146
ChEBI:
17261
NIKKAJI:
J37.492J
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All DBs
KCF data
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ATOM 23
1 C1y C 22.5080 -16.8768
2 C1y C 22.5080 -18.2493
3 O2x O 21.3166 -16.1970
4 C1y C 21.3166 -18.9417
5 C1y C 20.1438 -16.8768
6 C1y C 20.1438 -18.2493
7 O1a O 21.3166 -20.3017
8 C1b C 18.9648 -16.1970
9 O1a O 18.9648 -18.9230
10 O1a O 17.7683 -16.8883
11 N1b N 23.7454 -16.1580
12 C5a C 23.7416 -14.7700
13 O5a O 22.5185 -14.0684
14 C1b C 24.9434 -14.0717
15 C1c C 26.1393 -14.7579
16 C6a C 27.3227 -14.0704
17 O6a O 28.5197 -14.7573
18 O6a O 27.3189 -12.6701
19 N1a N 26.1434 -16.1696
20 N1b N 23.7544 -18.9665
21 C5a C 23.7544 -20.3665
22 O5a O 22.5223 -21.0781
23 C1a C 24.9499 -21.0569
BOND 23
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 1 #Up
7 5 8 1 #Up
8 6 9 1 #Down
9 5 6 1
10 8 10 1
11 1 11 1 #Up
12 11 12 1
13 12 13 2
14 12 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 16 18 2
19 15 19 1 #Up
20 2 20 1 #Down
21 20 21 1
22 21 22 2
23 21 23 1
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