COMPOUND: C04861
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Entry
C04861 Compound
Name
1,3-alpha-D-Mannosyl-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannose
Formula
C24H42O21
Exact mass
666.2219
Mol weight
666.5777
Structure
Mol file
KCF file
DB search
Remark
Same as:
G00172
Reaction
R04619
Enzyme
2.4.1.138
Other DBs
PubChem:
7416
ChEBI:
17631
NIKKAJI:
J2.756.249C
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KCF data
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ATOM 45
1 O1a O 44.1133 -17.7182
2 C1b C 45.3456 -16.9689
3 C1y C 46.4024 -17.5778
4 C1y C 46.4024 -18.8146
5 O2x O 47.4521 -16.9689
6 C1y C 47.4521 -19.4354
7 O1a O 45.3398 -19.4120
8 C1y C 48.5194 -17.5778
9 C1y C 48.5194 -18.8146
10 O2a O 49.7458 -16.0376
11 O1a O 41.6978 -21.7309
12 C1b C 42.6899 -21.2430
13 C1y C 43.7467 -21.8520
14 C1y C 43.7467 -23.0816
15 O2x O 44.7965 -21.2430
16 C1y C 44.7965 -23.7094
17 O1a O 42.6841 -23.6860
18 C1y C 45.8566 -21.8520
19 C1y C 45.8566 -23.0816
20 O1a O 44.7965 -24.9217
21 O2a O 47.4644 -21.1522
22 O1a O 46.9132 -23.6953
23 O1a O 43.9790 -12.7235
24 C1b C 45.2113 -12.1015
25 C1y C 46.2681 -12.7103
26 C1y C 46.2681 -13.9470
27 O2x O 47.3180 -12.1015
28 C1y C 47.3180 -14.5679
29 O1a O 45.2056 -14.5515
30 C1y C 48.3851 -12.7103
31 C1y C 48.3851 -13.9470
32 O1a O 47.3180 -15.7800
33 O2a O 49.6186 -10.8027
34 O1a O 43.9083 -7.7359
35 C1b C 45.1477 -7.0219
36 C1y C 46.1976 -7.6379
37 C1y C 46.1976 -8.8676
38 O2x O 47.2473 -7.0219
39 C1y C 47.2473 -9.4883
40 O1a O 45.1420 -9.4721
41 C1y C 48.3144 -7.6379
42 C1y C 48.3144 -8.8676
43 O1a O 47.2473 -10.7077
44 O1a O 49.3713 -7.0160
45 O1a O 49.7324 -19.5124
BOND 48
1 11 12 1
2 13 12 1 #Up
3 13 14 1
4 13 15 1
5 14 16 1
6 14 17 1 #Down
7 15 18 1
8 16 19 1
9 16 20 1 #Up
10 18 21 1 #Down
11 18 19 1
12 19 22 1 #Up
13 6 21 1 #Up
14 1 2 1
15 3 2 1 #Up
16 3 4 1
17 3 5 1
18 4 6 1
19 4 7 1 #Down
20 5 8 1
21 23 24 1
22 25 24 1 #Up
23 25 26 1
24 25 27 1
25 26 28 1
26 26 29 1 #Down
27 27 30 1
28 28 31 1
29 28 32 1 #Up
30 30 33 1 #Down
31 30 31 1
32 31 10 1 #Up
33 6 9 1
34 8 10 1 #Down
35 8 9 1
36 34 35 1
37 36 35 1 #Up
38 36 37 1
39 36 38 1
40 37 39 1
41 37 40 1 #Down
42 38 41 1
43 39 42 1
44 39 43 1 #Up
45 41 44 1 #Either
46 41 42 1
47 42 33 1 #Up
48 9 45 1 #Up
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