COMPOUND: C04589
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Entry
C04589 Compound
Name
UDP-N-acetyl-D-galactosamine 4,6-bissulfate
Formula
C17H27N3O23P2S2
Exact mass
766.9952
Mol weight
767.4801
Structure
Mol file
KCF file
DB search
Reaction
R04476
Enzyme
2.8.2.7
Other DBs
PubChem:
7188
ChEBI:
132803
NIKKAJI:
J2.752.143F
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KCF data
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ATOM 47
1 C1y C 22.6123 -26.6608
2 C1y C 22.6123 -28.0093
3 O2x O 21.4317 -25.9835
4 O2b O 23.7806 -25.9835
5 C1y C 21.4317 -28.6867
6 N1b N 24.2839 -28.8172
7 C1y C 20.2571 -26.6608
8 P1b P 25.1415 -25.9897
9 C1y C 20.2571 -28.0093
10 O1a O 21.4317 -30.0414
11 C5a C 24.3027 -30.4701
12 C1b C 19.1572 -25.8716
13 O2c O 26.4901 -25.9897
14 O1c O 25.1415 -24.6413
15 O1c O 25.1415 -27.3445
16 O2a O 18.9336 -28.6619
17 C1a C 23.1280 -31.1351
18 O5a O 25.4771 -31.1475
19 O2a O 19.1509 -24.2746
20 P1b P 27.8447 -25.9897
21 S4a S 17.5788 -28.6555
22 S4a S 17.7963 -24.2685
23 O2b O 29.1994 -25.9960
24 O1c O 27.8447 -24.6413
25 O1c O 27.8384 -27.3445
26 O1d O 17.5788 -27.3072
27 O1d O 16.2241 -28.6555
28 O1d O 17.5726 -30.0104
29 O1d O 17.7963 -22.9199
30 O1d O 16.4478 -24.2685
31 O1d O 17.7902 -25.6231
32 C1b C 29.4852 -27.3133
33 C1y C 30.7715 -27.7235
34 O2x O 31.8528 -26.9468
35 C1y C 31.2066 -29.0160
36 C1y C 32.9589 -27.7545
37 C1y C 32.5612 -29.0160
38 O1a O 30.4174 -30.1160
39 N4y N 34.0153 -25.5546
40 O1a O 33.3567 -30.1097
41 C8y C 32.8533 -24.8587
42 C8x C 35.2085 -24.8587
43 N4x N 32.8533 -23.4916
44 O5x O 31.6789 -25.5236
45 C8x C 35.2085 -23.4916
46 C8y C 34.0217 -22.8143
47 O5x O 34.0153 -21.4595
BOND 49
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 7 12 1 #Up
12 8 13 1
13 8 14 1
14 8 15 2
15 9 16 1 #Up
16 11 17 1
17 11 18 2
18 12 19 1
19 13 20 1
20 16 21 1
21 19 22 1
22 20 23 1
23 20 24 1
24 20 25 2
25 21 26 1
26 21 27 2
27 21 28 2
28 22 29 1
29 22 30 2
30 22 31 2
31 23 32 1
32 33 32 1 #Up
33 33 34 1
34 33 35 1
35 34 36 1
36 35 37 1
37 35 38 1 #Down
38 36 39 1 #Up
39 37 40 1 #Down
40 39 41 1
41 39 42 1
42 41 43 1
43 41 44 2
44 42 45 2
45 43 46 1
46 46 47 2
47 7 9 1
48 36 37 1
49 45 46 1
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