Entry
Name
Formula
C52H76O24
Exact mass
1084.4727
Mol weight
1085.1454
Structure
Mol file KCF file DB search
Remark
Reaction
Pathway
map01057 Biosynthesis of type II polyketide products
map01110 Biosynthesis of secondary metabolites
Module
M00782 Mithramycin biosynthesis, 4-demethylpremithramycinone => mithramycin
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
L01DC Other cytotoxic antibiotics
L01DC02 Plicamycin
D00468 Plicamycin (USAN/INN)
BRITE hierarchy
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KCF data
Show ATOM 76
1 C1y C 36.5380 -29.4230
2 O2x O 35.3285 -28.7769
3 C1y C 34.1614 -29.5032
4 C1y C 34.1368 -30.8771
5 C1z C 35.4163 -31.5231
6 C1x C 36.5146 -30.7968
7 C1y C 38.7977 -25.2168
8 O2x O 37.6006 -24.5772
9 C1y C 36.4334 -25.3033
10 C1y C 36.4086 -26.6771
11 C1y C 37.6756 -27.3168
12 C1x C 38.7741 -26.5907
13 O2a O 37.7208 -28.6871
14 C1y C 41.0633 -21.0204
15 O2x O 39.8487 -20.3527
16 C1y C 38.6731 -21.0649
17 C1y C 38.6332 -22.4392
18 C1y C 39.9165 -23.1068
19 C1x C 41.0922 -22.3946
20 C1y C 30.2598 -19.7618
21 O2x O 29.0777 -19.0793
22 C1y C 27.8872 -19.7666
23 C1y C 27.8873 -21.1412
24 C1y C 29.0694 -21.8237
25 C1x C 30.2598 -21.1364
26 C1y C 30.2763 -15.6284
27 C1y C 30.2763 -17.0031
28 C1y C 31.4667 -17.6903
29 C1x C 32.6572 -17.0031
30 C1y C 32.6572 -15.6284
31 O2x O 31.4667 -14.9412
32 C8y C 35.0380 -17.0031
33 C8y C 35.0380 -15.6284
34 O2a O 33.8477 -14.9412
35 C8y C 36.2286 -17.6903
36 C8y C 37.4190 -17.0031
37 C8y C 37.4190 -15.6284
38 C8x C 36.2286 -14.9412
39 C8y C 38.6094 -17.6903
40 C8y C 39.7999 -17.0031
41 C8y C 39.7999 -15.6284
42 C8x C 38.6094 -14.9412
43 C5x C 40.9903 -17.6903
44 C1y C 42.1808 -17.0031
45 C1y C 42.1808 -15.6284
46 C1x C 40.9903 -14.9412
47 C1a C 29.0859 -14.9412
48 O2a O 31.4667 -19.0648
49 O1a O 29.0859 -17.6903
50 O5a O 44.5617 -17.0031
51 C5a C 44.5617 -15.6284
52 C1c C 43.3713 -14.9412
53 O1a O 46.9427 -17.0031
54 C1c C 46.9427 -15.6284
55 C1c C 45.7522 -14.9412
56 O2a O 42.2496 -20.3021
57 O2a O 43.3713 -13.5669
58 O5x O 40.9903 -19.0650
59 O1a O 38.6094 -19.0649
60 O1a O 36.2286 -19.0647
61 O1a O 45.7522 -13.5665
62 C1a C 48.1077 -14.9554
63 C1a C 42.2053 -12.8935
64 C1a C 37.4737 -20.3661
65 O2a O 39.9617 -24.4932
66 O1a O 29.0692 -23.1885
67 C1a C 26.6782 -19.0687
68 O1a O 26.6908 -21.8321
69 O1a O 37.4718 -23.1216
70 C1a C 35.2500 -24.6710
71 C1a C 32.9780 -28.8709
72 C1a C 34.4443 -32.7013
73 O1a O 36.3884 -32.7013
74 O1a O 33.0260 -31.6117
75 O1a O 35.2918 -27.4152
76 C1a C 33.8332 -17.6988
BOND 83
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 7 12 1
13 11 13 1 #Up
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 14 19 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 20 25 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 26 31 1
32 32 33 2
33 33 34 1
34 32 35 1
35 35 36 2
36 36 37 1
37 37 38 2
38 33 38 1
39 36 39 1
40 39 40 2
41 40 41 1
42 41 42 2
43 37 42 1
44 40 43 1
45 43 44 1
46 44 45 1
47 45 46 1
48 41 46 1
49 30 34 1 #Up
50 26 47 1 #Up
51 28 48 1 #Up
52 27 49 1 #Down
53 50 51 2
54 51 52 1
55 45 52 1
56 54 55 1
57 51 55 1
58 44 56 1 #Down
59 52 57 1 #Down
60 43 58 2
61 39 59 1
62 35 60 1
63 54 53 1 #Up
64 55 61 1 #Up
65 54 62 1
66 57 63 1
67 20 48 1 #Up
68 14 56 1 #Up
69 16 64 1 #Up
70 18 65 1 #Up
71 24 66 1 #Up
72 22 67 1 #Up
73 23 68 1 #Down
74 17 69 1 #Down
75 7 65 1 #Up
76 1 13 1 #Up
77 9 70 1 #Up
78 3 71 1 #Up
79 5 72 1 #Up
80 5 73 1 #Down
81 4 74 1 #Down
82 10 75 1 #Up
83 32 76 1