| Entry |
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| Name |
4''-O-Carbamoyl ansamitocinoside P-3;
ACGP-3
|
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| Formula |
C38H52ClN3O15
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| Exact mass |
825.3087
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| Mol weight |
826.28
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| Structure |
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| Reaction |
|
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Enzyme |
2.1.3.-
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK05 Ansamycins and related polyketides
C20140 4''-O-Carbamoyl ansamitocinoside P-3
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 57
1 C8y C 13.8686 -16.7872
2 C8x C 13.8686 -18.1739
3 C8y C 15.0472 -18.8672
4 C8x C 16.2952 -18.1739
5 C8y C 16.2952 -16.7872
6 C8y C 15.0472 -16.0939
7 C1y C 23.5059 -18.1739
8 C1x C 22.2579 -18.8672
9 C1z C 22.2579 -20.2539
10 C1y C 21.0792 -20.9472
11 C2x C 19.8312 -20.2539
12 C2x C 18.6526 -20.9472
13 C2x C 17.4739 -20.2539
14 C2y C 16.2259 -20.9472
15 O2a O 21.0792 -22.3339
16 C1x C 15.0472 -20.2539
17 C1a C 16.2259 -22.3339
18 C1y C 23.5059 -16.7872
19 N1y N 17.2659 -15.6086
20 C5x C 18.6526 -15.6086
21 C1x C 19.3459 -14.3606
22 C1y C 20.7325 -14.3606
23 C1z C 21.4259 -15.5392
24 C1y C 22.8125 -15.5392
25 O5x O 19.3459 -16.7872
26 O7a O 21.4259 -13.2513
27 C1a C 20.7325 -16.7179
28 C1a C 24.8232 -16.4406
29 O2a O 12.6899 -16.0939
30 X Cl 15.0472 -14.7072
31 C1a C 19.9005 -23.0272
32 C1a C 11.4419 -16.8566
33 N1x N 23.4365 -20.9472
34 C7x C 24.6845 -20.2539
35 O7x O 24.6845 -18.8672
36 O6a O 25.8632 -20.9472
37 O1a O 22.2579 -21.6405
38 C7a C 22.8125 -13.2513
39 C1c C 23.5059 -12.0726
40 O6a O 23.5059 -14.4299
41 C1a C 24.8925 -12.0726
42 C1a C 22.8125 -10.8939
43 O2x O 22.1192 -14.3606
44 C1y C 16.0872 -11.3793
45 C1y C 16.0872 -12.7659
46 C1y C 17.2659 -13.4593
47 O2x O 18.5139 -12.7659
48 C1y C 18.5139 -11.3793
49 C1y C 17.2659 -10.6859
50 O1a O 14.9086 -13.4593
51 O1a O 14.9086 -10.6859
52 O7a O 17.2659 -9.2993
53 C1b C 19.6925 -10.6859
54 O1a O 19.6925 -9.2993
55 C7a C 16.0761 -8.6125
56 O6a O 14.8828 -9.3017
57 N1a N 16.0760 -7.2102
BOND 61
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 10 15 1 #Down
15 14 16 1
16 16 3 1
17 14 17 1
18 7 18 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 18 1
25 20 25 2
26 22 26 1 #Down
27 23 27 1 #Up
28 18 28 1 #Down
29 5 19 1
30 1 29 1
31 6 30 1
32 15 31 1
33 29 32 1
34 9 33 1
35 33 34 1
36 34 35 1
37 7 35 1
38 34 36 2
39 9 37 1 #Down
40 26 38 1
41 38 39 1
42 38 40 2
43 39 41 1
44 39 42 1
45 23 43 1
46 43 24 1
47 44 45 1
48 45 46 1
49 46 47 1
50 47 48 1
51 48 49 1
52 44 49 1
53 46 19 1 #Up
54 45 50 1 #Down
55 44 51 1 #Up
56 49 52 1 #Down
57 48 53 1 #Up
58 53 54 1
59 52 55 1
60 55 56 2
61 55 57 1
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