Entry |
|
Name |
27-O-Demethylrifamycin SV
|
Formula |
C36H45NO12
|
Exact mass |
683.2942
|
Mol weight |
683.742
|
Structure |
|
Reaction |
|
Pathway |
map01110 | Biosynthesis of secondary metabolites |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK05 Ansamycins and related polyketides
C14727 27-O-Demethylrifamycin SV
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 49
1 C8y C 27.4405 -18.4853
2 C8y C 26.2377 -16.4322
3 C8y C 26.2369 -17.7772
4 C8x C 28.5740 -17.7772
5 C8y C 25.1042 -18.4853
6 C5x C 25.1042 -19.8303
7 C8y C 23.9007 -17.7772
8 C1c C 22.7679 -15.7949
9 C8y C 23.9007 -16.4322
10 C8y C 25.1042 -15.7949
11 C1c C 22.7679 -14.3790
12 C1c C 23.9715 -13.7418
13 C1c C 25.1042 -11.7595
14 C1c C 23.9715 -12.3966
15 C1c C 26.3077 -12.3966
16 O1a O 26.3077 -13.6718
17 C1c C 27.4405 -11.7595
18 C2b C 28.6440 -12.4674
19 C2c C 30.9097 -13.8126
20 C2b C 30.9097 -12.4674
21 C2b C 29.7769 -11.8303
22 C5a C 29.7769 -14.4499
23 C8y C 27.4405 -15.7241
24 C8y C 28.5732 -16.4322
25 N1b N 29.7760 -15.7949
26 O5x O 26.0954 -20.7507
27 C1c C 21.5644 -16.4322
28 C2b C 21.5644 -17.7772
29 C2b C 20.3616 -18.4853
30 O2a O 20.3608 -19.8303
31 C1z C 22.6971 -19.8303
32 O2x O 22.6979 -18.4853
33 C1a C 22.6971 -21.1755
34 C1a C 32.1132 -14.5206
35 O1a O 20.4316 -15.7241
36 C1a C 21.6344 -14.8076
37 C1a C 25.1750 -10.4143
38 C1a C 27.5113 -10.4143
39 O1a O 22.7679 -11.6887
40 O1a O 27.4405 -14.5890
41 O1a O 25.1042 -14.5199
42 C1a C 22.7679 -12.8248
43 O1a O 27.4405 -19.8303
44 O5a O 28.5732 -13.7418
45 C1a C 23.3430 -15.0870
46 O7a O 21.5644 -13.7418
47 C7a C 20.3608 -13.0339
48 C1a C 19.1573 -13.7418
49 O6a O 20.3608 -11.6179
BOND 52
1 9 10 2
2 23 24 2
3 24 25 1
4 25 22 1
5 12 11 1
6 6 26 2
7 11 8 1
8 28 27 1
9 23 2 1
10 5 3 1
11 15 13 1
12 13 14 1
13 28 29 2
14 29 30 1
15 31 32 1
16 30 31 1
17 31 6 1
18 14 12 1
19 31 33 1
20 5 7 2
21 19 34 1
22 6 5 1
23 27 35 1 #Down
24 2 10 1
25 15 16 1 #Down
26 8 36 1 #Down
27 14 39 1 #Down
28 18 17 1
29 13 37 1 #Down
30 17 15 1
31 17 38 1 #Up
32 32 7 1
33 7 9 1
34 8 27 1
35 2 3 2
36 22 19 1
37 19 20 2
38 23 40 1
39 20 21 1
40 10 41 1
41 21 18 2
42 12 42 1 #Up
43 3 1 1
44 1 43 1
45 1 4 2
46 22 44 2
47 4 24 1
48 9 45 1
49 11 46 1 #Up
50 46 47 1
51 47 48 1
52 47 49 2
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