COMPOUND: C06505
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Entry
C06505 Compound
Name
Cob(I)yrinate a,c diamide;
Cob(I)yrinate diamide;
Cob(I)yrinic acid a,c-diamide
Formula
C45H61CoN6O12
Exact mass
936.3679
Mol weight
936.93
Structure
Mol file
KCF file
DB search
Reaction
R05218
R05220
Pathway
map00860
Porphyrin metabolism
map01100
Metabolic pathways
Enzyme
1.16.8.-
2.5.1.17
Other DBs
PubChem:
8736
ChEBI:
28531
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All DBs
KCF data
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ATOM 64
1 Z Co 31.4767 -31.8674
2 N1y N 30.0424 -30.4974
3 N2x N 30.0365 -33.3774
4 N2x N 32.9749 -30.5382
5 N2x N 32.9399 -33.3425
6 C1z C 28.7073 -30.7132
7 C2y C 30.2639 -29.1799
8 C1y C 28.7073 -33.1792
9 C2y C 30.2523 -34.7068
10 C2y C 32.6892 -29.2206
11 C2y C 34.3158 -30.6723
12 C2y C 32.7009 -34.6601
13 C2y C 34.2808 -33.1676
14 C1z C 28.1010 -29.4947
15 C1a C 27.3898 -31.0571
16 C1y C 29.0688 -28.5503
17 C2y C 31.4883 -28.7193
18 C1y C 28.0953 -34.3860
19 C1z C 29.0630 -35.3305
20 C2y C 31.4883 -35.1731
21 C1z C 33.8553 -28.5444
22 C1y C 34.8521 -29.4306
23 C2x C 34.8171 -31.9141
24 C1y C 33.8727 -35.3071
25 C1z C 34.8580 -34.3803
26 C1b C 26.1244 -29.2730
27 C1a C 27.9496 -28.1888
28 C1b C 29.0864 -27.2094
29 C1a C 31.4824 -27.3551
30 C1b C 26.7777 -34.6075
31 C1b C 29.0514 -36.6773
32 C1a C 30.9813 -38.7486
33 C1a C 31.4824 -36.5256
34 C1b C 33.8494 -27.1861
35 C1a C 31.9192 -25.8205
36 C1b C 36.2047 -29.4247
37 C1b C 34.0068 -36.6423
38 C1a C 36.1580 -34.0305
39 C1a C 35.3593 -35.6512
40 C5a C 25.3898 -27.6170
41 C1b C 27.9320 -26.5215
42 C6a C 26.3053 -35.8669
43 C1b C 27.8736 -37.3476
44 C5a C 35.0154 -26.5039
45 C1b C 36.8635 -28.2588
46 C1b C 35.2369 -37.2019
47 N1a N 23.9089 -27.1912
48 O5a O 26.0018 -26.6027
49 C6a C 27.9436 -25.1746
50 O6a O 24.9820 -36.0826
51 O6a O 27.1507 -36.8930
52 C6a C 27.8679 -38.7002
53 N1a N 35.0095 -25.1572
54 O5a O 36.1813 -27.1801
55 C6a C 38.2102 -28.2471
56 C6a C 35.3652 -38.5370
57 O6a O 26.7894 -24.4984
58 O6a O 29.1214 -24.5160
59 O6a O 26.7077 -39.3707
60 O6a O 29.0221 -39.3824
61 O6a O 38.8807 -27.0811
62 O6a O 38.8924 -29.4190
63 O6a O 34.2633 -39.3124
64 O6a O 36.6011 -39.0966
BOND 68
1 1 2 1
2 2 6 1
3 2 7 1
4 3 8 1
5 3 9 2
6 4 10 2
7 4 11 1
8 5 12 1
9 5 13 2
10 6 14 1
11 6 15 1 #Down
12 7 16 1
13 7 17 2
14 8 18 1
15 9 19 1
16 9 20 1
17 10 21 1
18 11 22 1
19 11 23 2
20 12 24 1
21 13 25 1
22 14 26 1 #Up
23 14 27 1 #Down
24 16 28 1 #Down
25 17 29 1
26 18 30 1 #Up
27 19 31 1 #Down
28 19 32 1 #Up
29 20 33 1
30 21 34 1 #Up
31 21 35 1 #Down
32 22 36 1 #Down
33 24 37 1 #Down
34 25 38 1
35 25 39 1
36 26 40 1
37 28 41 1
38 30 42 1
39 31 43 1
40 34 44 1
41 36 45 1
42 37 46 1
43 40 47 1
44 40 48 2
45 41 49 1
46 42 50 1
47 42 51 2
48 43 52 1
49 44 53 1
50 44 54 2
51 45 55 1
52 46 56 1
53 49 57 1
54 49 58 2
55 52 59 1
56 52 60 2
57 55 61 1
58 55 62 2
59 56 63 1
60 56 64 2
61 6 8 1
62 10 17 1
63 12 20 2
64 13 23 1
65 14 16 1
66 18 19 1
67 21 22 1
68 24 25 1
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