COMPOUND: C22188
Help
Entry
C22188 Compound
Name
Monoglucosyl-(2,3-dihydroxybenzoylserine)3;
O-3-{O-3-[N-(2,3-Dihydroxybenzoyl)-C-5-deoxy-beta-D-glucosyl-L-seryl]-N-(2,3-dihydroxybenzoyl)-L-seryl}-N-(2,3-dihydroxybenzoyl)-L-serine
Formula
C36H39N3O21
Exact mass
849.2076
Mol weight
849.7024
Structure
Mol file
KCF file
DB search
Reaction
R12476
Enzyme
3.1.1.107
Other DBs
PubChem:
405226379
LinkDB
All DBs
KCF data
Show
ATOM 60
1 C8y C 17.4135 -22.8531
2 C5a C 17.4135 -21.4477
3 C8y C 18.6325 -23.5407
4 C8x C 16.2062 -23.5407
5 N1b N 18.6266 -20.7474
6 O5a O 16.2005 -20.7474
7 C8y C 18.6325 -24.9404
8 O1a O 19.8458 -22.8414
9 C8x C 16.2062 -24.9404
10 C1c C 18.6266 -19.3420
11 C8x C 17.4193 -25.6464
12 O1a O 19.8458 -25.6464
13 C7a C 19.8398 -18.6485
14 C1b C 17.4135 -18.6485
15 O7a O 19.8398 -17.2488
16 O6a O 21.0588 -19.3420
17 O6a O 17.4135 -17.2488
18 C1b C 21.0588 -16.5428
19 C6a C 16.2005 -16.5428
20 C1c C 21.0588 -15.1431
21 C1c C 16.2005 -15.1431
22 O6a O 14.9944 -17.2488
23 N1b N 22.2720 -14.4440
24 C7a C 19.8398 -14.4440
25 N1b N 14.9944 -14.4440
26 C1b C 17.4135 -14.4440
27 C5a C 23.4852 -15.1431
28 O7a O 18.6266 -15.1431
29 O6a O 19.8398 -13.0442
30 C5a C 13.7752 -15.1431
31 C8y C 24.6983 -14.4440
32 O5a O 23.4852 -16.5428
33 C8y C 12.6322 -14.4440
34 O5a O 13.7752 -16.5428
35 C8y C 25.8985 -15.1372
36 C8x C 24.6924 -13.0385
37 C8y C 11.3550 -15.1489
38 C8x C 12.5681 -13.0501
39 C8y C 27.1117 -14.4440
40 O1a O 25.8985 -16.5428
41 C8x C 25.8985 -12.3381
42 C8y C 10.1418 -14.4498
43 O1a O 11.3607 -16.5485
44 C8y C 11.3550 -12.3440
45 C8x C 27.1117 -13.0385
46 O1a O 28.3250 -15.1372
47 C8x C 10.1418 -13.0501
48 O1a O 8.9228 -15.1489
49 C1y C 11.3552 -10.9225
50 O2x O 12.5681 -10.2223
51 C1y C 12.5681 -8.8218
52 C1y C 11.3552 -8.1216
53 C1y C 10.1424 -8.8218
54 C1y C 10.1424 -10.2223
55 O1a O 8.9376 -10.9179
56 O1a O 8.9376 -8.1262
57 O1a O 11.3552 -6.7212
58 C1b C 13.7548 -8.1362
59 O1a O 14.9677 -8.8365
60 O1a O 16.2011 -19.3485
BOND 63
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 1
9 10 5 1 #Up
10 7 11 1
11 7 12 1
12 10 13 1
13 10 14 1
14 13 15 1
15 13 16 2
16 15 18 1
17 17 19 1
18 18 20 1
19 19 21 1
20 19 22 2
21 20 23 1 #Up
22 20 24 1
23 21 25 1 #Up
24 21 26 1
25 23 27 1
26 24 28 1
27 24 29 2
28 25 30 1
29 27 31 1
30 27 32 2
31 30 33 1
32 30 34 2
33 31 35 2
34 31 36 1
35 33 37 1
36 33 38 2
37 35 39 1
38 35 40 1
39 36 41 2
40 37 42 2
41 37 43 1
42 38 44 1
43 39 45 2
44 39 46 1
45 42 47 1
46 42 48 1
47 9 11 2
48 26 28 1
49 41 45 1
50 44 47 2
51 49 44 1 #Up
52 49 50 1
53 50 51 1
54 51 52 1
55 52 53 1
56 53 54 1
57 49 54 1
58 54 55 1 #Down
59 53 56 1 #Up
60 52 57 1 #Down
61 51 58 1 #Up
62 58 59 1
63 14 60 1
» Japanese version
DBGET
integrated database retrieval system
