| Entry |
|
|---|
| Name |
Demethylmacrocin;
2'''-O-Demethyllactenocin
|
|---|
| Formula |
C44H73NO17
|
|---|
| Exact mass |
887.4879
|
|---|
| Mol weight |
888.05
|
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| Structure |
|
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| Sequence |
0 Mtk 1 Mtd 2 Mtd 3 Man 4 Mte 5 Etk 6 Mtk 7 Man |
|---|
| Gene |
|
|---|
| Organism |
Actinomycetes; Streptomyces fradiae |
|---|
| Type |
PK |
|---|
| Reaction |
|
|---|
| Pathway |
| map00522 | Biosynthesis of 12-, 14- and 16-membered macrolides |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00773 | Tylosin biosynthesis, methylmalonyl-CoA + malonyl-CoA => tylactone => tylosin |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C02400 Demethylmacrocin
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 62
1 C1y C 28.5122 -18.5264
2 C1y C 29.6230 -19.1870
3 O2a O 27.5010 -19.8007
4 C1y C 28.5122 -17.2520
5 C1y C 30.7336 -18.5264
6 N1c N 29.6230 -20.4672
7 C1y C 25.8874 -21.0576
8 O2x O 29.6230 -16.6207
9 C1a C 27.4074 -16.6207
10 C1y C 30.7336 -17.2520
11 O1a O 31.8560 -19.1870
12 C1a C 28.4714 -21.5779
13 C1a C 30.9382 -21.7298
14 C1x C 25.8874 -22.3437
15 O2x O 24.7534 -20.4204
16 O2a O 32.6803 -15.3170
17 C1z C 24.7534 -22.9867
18 C1y C 23.6426 -21.0576
19 C1y C 30.6870 -12.8325
20 C1y C 23.6426 -22.3437
21 C1a C 25.6944 -23.9922
22 O1a O 23.9057 -24.0975
23 C1a C 22.5435 -20.4204
24 C1y C 30.6753 -11.5113
25 C1y C 29.5586 -13.4930
26 O1a O 22.5435 -22.9867
27 C1x C 29.5411 -10.8681
28 C1b C 31.7918 -10.8566
29 C1y C 29.5645 -14.8258
30 C1a C 28.5998 -12.6747
31 C1y C 29.5411 -9.5763
32 C4a C 32.9026 -11.4996
33 C1x C 28.4186 -15.4806
34 O1a O 30.6753 -15.4572
35 C5x C 28.4129 -8.9450
36 C1a C 30.6402 -8.9390
37 O4a O 34.0132 -10.8332
38 C7x C 27.2846 -14.7790
39 C2x C 27.3021 -9.5763
40 O5x O 28.4129 -7.6472
41 O7x O 26.1447 -15.4339
42 O6a O 27.2670 -13.4872
43 C2x C 27.3021 -10.8681
44 C1y C 24.9639 -14.7616
45 C2y C 26.0922 -11.5113
46 C1y C 25.0163 -13.4755
47 C1b C 23.8823 -15.4163
48 C2x C 26.1447 -12.8091
49 C1a C 25.0514 -10.8681
50 C1b C 23.8940 -12.8266
51 C1a C 23.8764 -16.7024
52 O2a O 22.3740 -13.9373
53 C1y C 20.5617 -15.3521
54 C1y C 20.5617 -16.6324
55 O2x O 19.4452 -14.7148
56 C1y C 19.4452 -17.2754
57 O1a O 21.6784 -17.2754
58 C1y C 18.3346 -15.3521
59 C1y C 18.3346 -16.6324
60 O1a O 19.4452 -18.5615
61 C1a C 17.2296 -14.7148
62 O1a O 17.2296 -17.2754
BOND 65
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 7 3 1 #Up
7 4 8 1
8 4 9 1 #Up
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 6 13 1
13 7 14 1
14 7 15 1
15 10 16 1 #Up
16 14 17 1
17 15 18 1
18 19 16 1 #Down
19 17 20 1
20 17 21 1 #Down
21 17 22 1 #Up
22 18 23 1 #Down
23 19 24 1
24 19 25 1
25 20 26 1 #Up
26 24 27 1
27 24 28 1 #Down
28 25 29 1
29 25 30 1 #Down
30 27 31 1
31 28 32 1
32 29 33 1
33 29 34 1 #Down
34 31 35 1
35 31 36 1 #Down
36 32 37 2
37 33 38 1
38 35 39 1
39 35 40 2
40 38 41 1
41 38 42 2
42 39 43 2
43 41 44 1
44 43 45 1
45 44 46 1
46 44 47 1 #Down
47 45 48 2
48 45 49 1
49 46 50 1 #Up
50 47 51 1
51 50 52 1
52 53 52 1 #Up
53 53 54 1
54 53 55 1
55 54 56 1
56 54 57 1 #Down
57 55 58 1
58 56 59 1
59 56 60 1 #Down
60 58 61 1 #Up
61 59 62 1 #Down
62 8 10 1
63 18 20 1
64 46 48 1
65 58 59 1
|
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