| Entry |
|
|---|
| Name |
2-Succinylbenzoyl-CoA;
o-Succinylbenzoyl-CoA;
Succinylbenzoyl-CoA;
4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA
|
|---|
| Formula |
C32H44N7O20P3S
|
|---|
| Exact mass |
971.1575
|
|---|
| Mol weight |
971.7129
|
|---|
| Structure |
|
|---|
| Comment |
previously considered that the location of CoA was on the aromatic carboxyl group
|
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| Reaction |
|
|---|
| Pathway |
| map00130 | Ubiquinone and other terpenoid-quinone biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00116 | Menaquinone biosynthesis, chorismate (+ polyprenyl-PP) => menaquinol |
| M00932 | Phylloquinone biosynthesis, chorismate (+ phytyl-PP) => phylloquinol |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
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| KCF data |
ATOM 63
1 C1b C 31.5000 -33.5300
2 C5a C 32.7600 -32.8300
3 S2a S 33.9500 -33.5300
4 C1b C 35.1400 -32.8300
5 C1b C 36.4000 -33.5300
6 N1b N 37.5900 -32.8300
7 C5a C 38.7800 -33.5300
8 C1b C 40.0400 -32.8300
9 C1b C 41.2300 -33.5300
10 N1b N 42.4200 -32.8300
11 C5a C 43.6800 -33.5300
12 C1c C 44.8700 -32.8300
13 C1d C 46.0600 -33.5300
14 C1b C 47.2500 -32.8300
15 O2b O 48.5100 -33.5300
16 O5a O 32.7600 -31.4300
17 O5a O 38.7800 -34.9300
18 O5a O 43.6800 -34.9300
19 O1a O 44.8700 -31.4300
20 C1a C 46.0600 -32.1300
21 C1a C 46.0600 -34.9300
22 P1b P 49.9100 -33.5300
23 O1c O 51.3100 -33.5300
24 O1c O 49.9100 -34.9300
25 C1y C 43.4000 -28.5600
26 C1y C 44.8000 -28.5600
27 C1y C 45.2200 -27.2300
28 O2x O 44.1000 -26.3900
29 C1y C 42.9800 -27.2300
30 C1b C 46.5500 -26.8100
31 O1a O 42.5600 -29.6800
32 O2b O 45.6400 -29.6800
33 P1b P 47.0400 -29.6800
34 O1c O 47.0400 -28.2800
35 O1c O 48.4400 -29.6800
36 O1c O 47.0400 -31.0800
37 C8y C 38.8500 -25.4100
38 C8y C 38.8500 -26.8100
39 N4y N 41.3000 -26.8100
40 C8x C 41.3000 -25.4100
41 N5x N 40.0400 -24.7100
42 C8y C 37.6600 -24.7100
43 N5x N 36.4000 -25.4100
44 C8x C 36.4000 -26.8100
45 N5x N 37.6600 -27.5100
46 N1a N 37.6600 -23.3100
47 O2b O 48.5100 -27.2300
48 P1b P 49.9100 -27.2300
49 O1c O 49.9100 -25.8300
50 O1c O 51.3100 -27.2300
51 O2c O 49.9100 -30.4500
52 C1b C 30.3100 -32.8300
53 C5a C 29.1200 -33.5300
54 C8y C 27.9300 -32.8300
55 O5a O 29.1200 -34.9300
56 C8x C 26.7400 -33.5300
57 C8x C 25.4800 -32.8300
58 C8x C 25.4800 -31.4300
59 C8x C 26.6700 -30.7300
60 C8y C 27.9300 -31.4300
61 C6a C 29.1200 -30.7300
62 O6a O 30.3100 -31.4300
63 O6a O 29.1200 -29.3300
BOND 66
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 1
55 52 53 1
56 53 54 1
57 53 55 2
58 54 56 2
59 56 57 1
60 57 58 2
61 58 59 1
62 59 60 2
63 54 60 1
64 60 61 1
65 61 62 1
66 61 63 2
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|---|
