COMPOUND: C06506
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Entry
C06506 Compound
Name
Adenosyl cobyrinate a,c diamide;
Adenosyl cobyrinate diamide;
Adenosylcob(III)yrinic acid a,c-diamide;
Adenosylcobyrinic acid a,c-diamide
Formula
C55H73CoN11O15
Exact mass
1186.462
Mol weight
1187.166
Structure
Mol file
KCF file
DB search
Reaction
R05220
R05225
R12184
Pathway
map00860
Porphyrin metabolism
map01100
Metabolic pathways
map01240
Biosynthesis of cofactors
Module
M00122
Cobalamin biosynthesis, cobyrinate a,c-diamide => cobalamin
Enzyme
2.5.1.17
6.3.5.10
Other DBs
PubChem:
8737
ChEBI:
2482
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KCF data
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ATOM 82
1 Z Co 28.2000 -31.8930 #+
2 N1y N 26.8003 -30.5566
3 N2x N 26.7944 -33.3618
4 N2x N 29.6516 -30.5968
5 N2x N 29.6227 -33.3272
6 C1b C 32.8658 -31.8873
7 C1z C 25.4983 -30.7697
8 C2y C 27.0191 -29.2719
9 C1y C 25.4983 -33.1717
10 C2y C 27.0076 -34.6636
11 C2y C 29.3750 -29.3180
12 C2y C 30.9650 -30.7236
13 C2y C 29.3865 -34.6175
14 C2y C 30.9304 -33.1602
15 C1y C 34.1505 -32.3134
16 C1z C 24.9051 -29.5773
17 C1a C 24.2138 -31.1038
18 C1y C 25.8498 -28.6614
19 C2y C 28.2115 -28.8284
20 C1y C 24.8992 -34.3469
21 C1z C 25.8439 -35.2685
22 C2y C 28.2115 -35.1130
23 C1z C 30.5156 -28.6557
24 C1y C 31.4892 -29.5197
25 C2x C 31.4488 -31.9391
26 C1y C 30.5328 -35.2455
27 C1z C 31.4892 -34.3411
28 O2x O 35.2276 -31.5358
29 C1y C 34.5709 -33.5922
30 C1b C 23.5974 -29.5658
31 C1a C 24.5595 -28.3042
32 C1b C 25.8670 -27.3539
33 C1a C 28.2000 -27.4979
34 C1b C 23.6148 -34.5657
35 C1b C 25.8324 -36.5760
36 C1a C 27.7298 -37.9068
37 C1a C 28.2000 -36.4320
38 C1b C 30.5098 -27.3308
39 C1a C 29.0969 -25.0957
40 C1b C 32.8025 -29.5140
41 C1b C 30.6655 -36.5473
42 C1a C 32.3421 -33.3713
43 C1a C 31.9788 -35.5796
44 C1y C 36.3393 -32.3710
45 C1y C 35.9188 -33.5922
46 O1a O 34.1331 -34.8768
47 C5a C 22.9466 -28.4367
48 C1b C 24.7437 -26.6857
49 C6a C 23.1539 -35.7927
50 C1b C 24.6861 -37.2329
51 C5a C 31.6447 -26.6683
52 C1b C 33.4477 -28.3734
53 C1b C 31.8636 -37.0887
54 N4y N 37.5950 -31.9563
55 O1a O 36.5640 -34.6982
56 N1a N 21.6448 -28.4252
57 O5a O 23.6148 -27.3078
58 C6a C 24.7553 -25.3837
59 O6a O 21.8693 -36.0000
60 O6a O 23.9776 -36.7892
61 C6a C 24.6804 -38.5519
62 N1a N 31.6389 -25.3550
63 O5a O 32.7795 -27.3250
64 C6a C 34.7610 -28.3677
65 C6a C 31.9845 -38.3964
66 C8y C 38.6378 -32.6821
67 C8x C 38.0674 -30.5968
68 O6a O 23.6263 -24.7098
69 O6a O 25.8959 -24.7329
70 O6a O 23.5456 -39.2029
71 O6a O 25.8037 -39.2144
72 O6a O 35.4119 -27.2271
73 O6a O 35.4234 -29.5025
74 O6a O 30.9130 -39.1509
75 O6a O 33.1884 -38.9378
76 C8y C 39.8417 -31.7951
77 N5x N 38.7702 -34.0703
78 N5x N 39.4787 -30.6027
79 C8y C 41.0685 -32.3365
80 C8x C 40.0605 -34.6406
81 N5x N 41.2240 -33.7881
82 N1a N 42.1515 -31.5301
BOND 89
1 1 2 1
2 1 6 1
3 2 7 1
4 2 8 1
5 3 9 1
6 3 10 2
7 4 11 2
8 4 12 1
9 5 13 1
10 5 14 2
11 15 6 1 #Up
12 7 16 1
13 7 17 1 #Down
14 8 18 1
15 8 19 2
16 9 20 1
17 10 21 1
18 10 22 1
19 11 23 1
20 12 24 1
21 12 25 2
22 13 26 1
23 14 27 1
24 15 28 1
25 15 29 1
26 16 30 1 #Up
27 16 31 1 #Down
28 18 32 1 #Down
29 19 33 1
30 20 34 1 #Up
31 21 35 1 #Down
32 21 36 1 #Up
33 22 37 1
34 23 38 1 #Up
35 23 39 1 #Down
36 24 40 1 #Down
37 26 41 1 #Down
38 27 42 1
39 27 43 1
40 28 44 1
41 29 45 1
42 29 46 1 #Down
43 30 47 1
44 32 48 1
45 34 49 1
46 35 50 1
47 38 51 1
48 40 52 1
49 41 53 1
50 44 54 1 #Up
51 45 55 1 #Down
52 47 56 1
53 47 57 2
54 48 58 1
55 49 59 1
56 49 60 2
57 50 61 1
58 51 62 1
59 51 63 2
60 52 64 1
61 53 65 1
62 54 66 1
63 54 67 1
64 58 68 1
65 58 69 2
66 61 70 1
67 61 71 2
68 64 72 1
69 64 73 2
70 65 74 1
71 65 75 2
72 66 76 2
73 66 77 1
74 67 78 2
75 76 79 1
76 77 80 2
77 79 81 2
78 79 82 1
79 7 9 1
80 11 19 1
81 13 22 2
82 14 25 1
83 16 18 1
84 20 21 1
85 23 24 1
86 26 27 1
87 44 45 1
88 76 78 1
89 80 81 1
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