| Entry |
|
|---|
| Name |
C-1027 Chromophore;
C-1027
|
|---|
| Formula |
C43H42ClN3O13
|
|---|
| Exact mass |
843.2406
|
|---|
| Mol weight |
844.2589
|
|---|
| Structure |
|
|---|
| Pathway |
| map01059 | Biosynthesis of enediyne antibiotics |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Brite |
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C11438
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 60
1 C1z C 23.7460 -20.3057
2 C1a C 23.7492 -22.1197
3 N1c N 20.9211 -20.8670
4 C1y C 22.0959 -20.1085
5 C1y C 22.9093 -21.3829
6 C1y C 24.5555 -20.7502
7 C1y C 26.0098 -21.1928
8 O2x O 24.8103 -19.7923
9 C1a C 22.9240 -19.0970
10 O1a O 22.8599 -22.7769
11 O1a O 25.3246 -21.9266
12 O2a O 27.2255 -20.5203
13 C8y C 30.3135 -23.4228
14 C8y C 30.3135 -24.7536
15 C8x C 31.4605 -25.4224
16 C8y C 32.6141 -24.7536
17 C8x C 32.6141 -23.4228
18 C8y C 31.4605 -22.7541
19 O2x O 28.9727 -22.6761
20 X Cl 29.1558 -25.4231
21 C1y C 33.7727 -25.4216
22 C1x C 34.9231 -24.7519
23 C1z C 28.5254 -19.4804
24 C2y C 28.9524 -18.2117
25 C2x C 27.8635 -17.4175
26 C2x C 26.7822 -18.2117
27 C2x C 27.1947 -19.4804
28 C2y C 32.6229 -19.1426
29 C1y C 33.7879 -18.5297
30 C1x C 34.9600 -19.2126
31 O7a O 33.8020 -17.1215
32 C8y C 29.1376 -13.0521
33 C8y C 29.1376 -14.4040
34 N4x N 30.3126 -15.0796
35 O2x O 30.3126 -12.3762
36 C8y C 31.4737 -13.0521
37 C8y C 31.4677 -14.4040
38 C8y C 32.6367 -15.0848
39 C8x C 33.8118 -14.4143
40 C8y C 33.8177 -13.0624
41 C8x C 32.6485 -12.3814
42 C2a C 27.9588 -12.3756
43 O5x O 27.9588 -15.0803
44 O2a O 34.9927 -12.3846
45 C1a C 36.1688 -13.0727
46 C7a C 32.6308 -16.4368
47 O6a O 31.4557 -17.1073
48 C2x C 32.6124 -20.4452
49 C0 C 31.3285 -18.7950
50 C0 C 30.1046 -18.4616
51 C0 C 31.3304 -20.8620
52 C0 C 30.1820 -20.8577
53 C1y C 28.9703 -20.8557
54 O7x O 34.9584 -20.5434
55 C7x C 34.9187 -23.4172
56 N1a N 33.7738 -26.7593
57 O6a O 36.3189 -23.4831
58 O1a O 31.4062 -21.8029
59 C1a C 19.6807 -20.2310
60 C1a C 20.9206 -22.2594
BOND 66
1 6 7 1
2 1 8 1
3 7 8 1
4 1 2 1
5 1 9 1
6 4 3 1
7 1 4 1
8 5 10 1
9 6 11 1
10 4 5 1
11 7 12 1
12 28 29 1
13 29 30 1
14 29 31 1 #Up
15 13 14 2
16 14 15 1
17 32 33 1
18 33 34 1
19 34 37 1
20 36 35 1
21 35 32 1
22 15 16 2
23 16 17 1
24 17 18 2
25 18 13 1
26 13 19 1
27 36 37 2
28 37 38 1
29 38 39 2
30 39 40 1
31 40 41 2
32 41 36 1
33 32 42 2
34 14 20 1
35 33 43 2
36 40 44 1
37 16 21 1
38 44 45 1
39 38 46 1
40 21 22 1
41 46 47 2
42 46 31 1
43 22 55 1
44 28 48 2
45 28 49 1
46 49 50 3
47 50 24 1
48 48 51 1
49 51 52 3
50 23 53 1
51 53 52 1
52 23 24 1
53 30 54 1
54 24 25 2
55 54 55 1
56 53 19 1 #Up
57 25 26 1
58 21 56 1 #Down
59 26 27 2
60 55 57 2
61 23 12 1 #Down
62 27 23 1
63 18 58 1
64 3 59 1
65 5 6 1
66 3 60 1
|
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