COMPOUND: C22247
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Entry
C22247 Compound
Name
UDP-2-acetamido-4-(D-alanylamino)-2,4,6-trideoxy-alpha-D-glucopyranose;
UDP-2-acetamido-4-(D-alanylamino)-2,4,6-trideoxy-alpha-D-glucose
Formula
C20H33N5O16P2
Exact mass
661.1398
Mol weight
661.45
Structure
Mol file
KCF file
DB search
Reaction
R12557
R12558
Pathway
map00541
Biosynthesis of various nucleotide sugars
map01100
Metabolic pathways
map01250
Biosynthesis of nucleotide sugars
Enzyme
5.1.3.-
Other DBs
PubChem:
433774468
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KCF data
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ATOM 43
1 C1y C 26.3484 -17.6802
2 N4y N 27.3966 -15.4440
3 O2x O 25.2302 -16.8416
4 C1y C 25.9290 -18.9380
5 C8y C 26.2785 -14.7451
6 C8x C 28.5846 -14.7451
7 C1y C 24.1820 -17.6103
8 C1y C 24.6014 -18.9380
9 O1a O 26.7676 -19.9164
10 N4x N 26.2785 -13.4174
11 O5x O 25.0905 -15.4440
12 C8x C 28.5846 -13.4174
13 C1b C 22.8544 -17.1910
14 O1a O 23.8327 -19.9164
15 C8y C 27.3966 -12.7185
16 O2b O 22.5749 -15.8632
17 O5x O 27.3966 -11.3909
18 P1b P 21.2471 -15.8632
19 O2c O 19.9193 -15.8632
20 O1c O 21.2471 -14.5355
21 O1c O 21.2471 -17.2609
22 P1b P 18.5218 -15.8632
23 O2b O 17.1940 -15.8632
24 O1c O 18.5218 -14.5355
25 O1c O 18.5218 -17.2609
26 C1y C 15.8662 -16.6319
27 C1y C 15.8662 -17.9597
28 O2x O 14.6783 -15.9332
29 C1y C 14.6783 -18.6585
30 N1b N 17.5433 -18.8681
31 C1y C 13.4902 -16.6319
32 C1y C 13.4902 -17.9597
33 O1a O 14.6783 -20.0562
34 C5a C 18.6615 -19.6368
35 C1a C 12.5119 -15.4441
36 N1b N 12.3023 -18.6585
37 C1a C 18.6615 -21.0345
38 O5a O 19.7796 -18.8681
39 C5a C 11.0843 -17.9685
40 C1c C 9.9061 -18.6617
41 N1a N 8.7024 -17.9796
42 C1a C 9.9175 -20.0536
43 O5a O 11.0725 -16.5604
BOND 45
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 2
11 6 12 2
12 7 13 1 #Up
13 8 14 1 #Down
14 10 15 1
15 13 16 1
16 15 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 22 23 1
23 22 24 1
24 22 25 2
25 26 23 1 #Down
26 26 27 1
27 26 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1
31 29 32 1
32 29 33 1 #Up
33 30 34 1
34 31 35 1 #Up
35 32 36 1 #Down
36 34 37 1
37 34 38 2
38 7 8 1
39 12 15 1
40 31 32 1
41 36 39 1
42 39 40 1
43 40 41 1 #Up
44 40 42 1
45 39 43 2
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