COMPOUND: C19965
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Entry
C19965 Compound
Name
beta-D-4-Deoxy-Delta4-GlcA-(1->4)-beta-D-Glc-(1->4)-alpha-L-Rha-(1->3)-D-Glc;
beta-D-4-Deoxy-Delta4-GlcAp-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp
Formula
C24H38O20
Exact mass
646.1956
Mol weight
646.5465
Structure
Mol file
KCF file
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Reaction
R09831
Enzyme
3.2.1.179
Other DBs
PubChem:
135626431
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KCF data
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ATOM 44
1 C2y C 11.5466 -19.9936
2 C2x C 11.5466 -21.3712
3 O2x O 12.7175 -19.3048
4 C6a C 10.5134 -19.3736
5 C1y C 12.7175 -22.0600
6 C1y C 13.9574 -19.9936
7 C1y C 13.9574 -21.3712
8 O1a O 12.7175 -23.4375
9 O1a O 15.1283 -22.0600
10 C1y C 16.7814 -16.9629
11 C1y C 16.7814 -18.3405
12 O2x O 17.9524 -16.2741
13 C1b C 15.5416 -16.2741
14 C1y C 17.9524 -19.0292
15 O2a O 15.5416 -19.0292
16 C1y C 19.1922 -16.9629
17 O1a O 14.5084 -17.1695
18 C1y C 19.1922 -18.3405
19 O1a O 17.9524 -20.4068
20 O1a O 20.3632 -19.0292
21 C1y C 23.0550 -16.1627
22 C1y C 21.8465 -15.4637
23 C1y C 24.2467 -15.4637
24 O1a O 23.0550 -17.5432
25 C1y C 21.8465 -14.0946
26 O2a O 20.6663 -16.1627
27 C1y C 24.2467 -14.0946
28 O1a O 25.4382 -16.1627
29 O2x O 23.0550 -13.4128
30 C1a C 20.6606 -13.4072
31 C1y C 24.4155 -9.6098
32 C1y C 24.4155 -10.9878
33 O2x O 25.6040 -8.9208
34 C1b C 23.2211 -8.9208
35 C1y C 25.6040 -11.6768
36 O1a O 23.2211 -11.6768
37 C1y C 26.8040 -9.6098
38 O1a O 22.1761 -9.8166
39 C1y C 26.8040 -10.9878
40 O2a O 25.6040 -13.0548
41 O1a O 27.9926 -8.9208
42 O1a O 27.9926 -11.6768
43 O6a O 10.5089 -18.0034
44 O6a O 9.3273 -20.0743
BOND 47
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 5 7 1
7 5 8 1 #Up
8 7 9 1 #Down
9 6 7 1
10 10 11 1
11 10 12 1
12 10 13 1 #Up
13 11 14 1
14 11 15 1 #Down
15 12 16 1
16 13 17 1
17 14 18 1
18 14 19 1 #Up
19 18 20 1 #Down
20 16 18 1
21 21 22 1
22 21 23 1
23 21 24 1 #Down
24 22 25 1
25 22 26 1 #Up
26 23 27 1
27 23 28 1 #Down
28 25 29 1
29 25 30 1 #Down
30 27 29 1
31 31 32 1
32 31 33 1
33 31 34 1 #Up
34 32 35 1
35 32 36 1 #Down
36 33 37 1
37 34 38 1
38 35 39 1
39 35 40 1 #Up
40 37 41 1 #Either
41 39 42 1 #Down
42 37 39 1
43 27 40 1 #Up
44 16 26 1 #Up
45 6 15 1 #Up
46 4 43 2
47 4 44 1
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