COMPOUND: C20705
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Entry
C20705 Compound
Name
4-O-(beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl)-(2S,4S)-4-hydroxyproline;
(Ara-f)3-Hyp
Formula
C20H33NO15
Exact mass
527.1850
Mol weight
527.47
Structure
Mol file
KCF file
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Reaction
R10579
Enzyme
3.2.1.187
Other DBs
PubChem:
254741174
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KCF data
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ATOM 36
1 C1y C 15.1764 -20.6430
2 C1y C 16.5530 -20.6430
3 C1y C 16.9659 -19.4042
4 O2x O 15.8647 -18.5783
5 C1y C 14.7635 -19.4042
6 O1a O 17.3100 -21.7442
7 C1b C 13.5246 -18.9912
8 O2a O 18.2048 -18.3718
9 O1a O 14.4194 -21.7442
10 O1a O 12.5611 -19.8859
11 C1y C 15.7270 -16.7200
12 C1y C 17.1036 -16.7200
13 C1y C 17.5165 -15.4811
14 O2x O 16.4153 -14.6552
15 C1y C 15.3141 -15.4811
16 C1b C 14.0752 -15.0681
17 O2a O 18.7554 -14.4487
18 O1a O 14.9700 -17.8212
19 O1a O 13.1117 -15.9629
20 C1y C 16.3465 -12.6592
21 C1y C 17.7230 -12.6592
22 C1y C 18.1359 -11.4204
23 O2x O 17.0347 -10.5945
24 C1y C 15.9335 -11.4204
25 C1b C 14.6947 -11.0074
26 O1a O 15.5894 -13.7605
27 O1a O 13.7311 -11.9022
28 O2a O 19.4436 -11.0074
29 C1y C 20.4760 -11.9710
30 C1x C 20.2695 -13.3475
31 N1x N 21.5772 -13.8981
32 C1y C 22.5408 -12.8657
33 C1x C 21.8525 -11.6957
34 C6a C 23.9173 -13.0722
35 O6a O 24.7432 -11.9710
36 O6a O 24.4679 -14.3111
BOND 39
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Down
7 5 7 1 #Down
8 3 8 1 #Down
9 1 9 1 #Up
10 7 10 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 11 15 1
16 12 8 1 #Down
17 15 16 1 #Down
18 13 17 1 #Down
19 11 18 1 #Up
20 16 19 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 20 24 1
26 21 17 1 #Down
27 24 25 1 #Down
28 20 26 1 #Up
29 25 27 1
30 22 28 1 #Down
31 29 28 1 #Up
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 29 33 1
37 32 34 1 #Up
38 34 35 1
39 34 36 2
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