| | COMPOUND: C14118 | |
Entry |
|
Name |
Naphthyl-2-hydroxymethyl-succinyl CoA
|
Formula |
C36H48N7O20P3S
|
Exact mass |
1023.1888
|
Mol weight |
1023.7875
|
Structure |
|
Reaction |
|
Pathway |
map01120 | Microbial metabolism in diverse environments |
map01220 | Degradation of aromatic compounds |
|
Enzyme |
1.1.-.- 4.2.1.-
|
Other DBs |
|
KCF data |
ATOM 67
1 C8y C 26.4292 -7.3042
2 C8x C 26.4292 -8.1333
3 C8x C 27.1495 -8.5500
4 C8x C 27.1495 -6.8917
5 C8y C 27.8657 -7.3042
6 C8y C 27.8622 -8.1333
7 C8x C 28.5790 -8.5530
8 C8x C 29.2994 -8.1394
9 C8x C 29.3030 -7.3103
10 C8x C 28.5861 -6.8947
11 C1c C 25.7107 -6.8913
12 C1c C 24.9971 -7.3052
13 C5a C 24.2818 -6.8942
14 C1b C 24.9987 -8.1302
15 C6a C 24.2851 -8.5441
16 O5a O 23.5682 -7.3081
17 O6a O 23.5698 -8.1331
18 O6a O 24.2867 -9.3691
19 S2a S 24.2750 -6.0667
20 N4y N 20.2374 -1.3866
21 C1y C 19.9270 -2.6901
22 C8y C 18.9270 -1.3866
23 C8x C 20.2408 -0.6315
24 O2x O 19.3064 -2.2418
25 C1y C 19.6995 -3.3970
26 C8y C 18.9270 -0.6315
27 N5x N 18.2684 -1.7728
28 N5x N 19.5857 -0.2487
29 C1y C 18.6960 -2.6797
30 C1y C 18.9339 -3.3970
31 O1a O 20.1408 -4.0004
32 C8y C 18.2684 -0.2556
33 C8x C 17.6201 -1.3866
34 C1b C 17.9960 -2.4590
35 O2b O 18.5512 -3.9349
36 N5x N 17.6201 -0.6315
37 N1a N 18.2684 0.4956
38 O2b O 16.9684 -2.9453
39 P1b P 17.7546 -3.9280
40 P1b P 15.7719 -2.9590
41 O1c O 17.8098 -3.2142
42 O1c O 17.0202 -3.9453
43 O1c O 17.7477 -4.6832
44 O2c O 15.7719 -4.5453
45 O1c O 15.7788 -2.2004
46 O1c O 15.0201 -2.9453
47 P1b P 15.7753 -6.0763
48 O2b O 16.5581 -6.0591
49 O1c O 15.7650 -6.9625
50 O1c O 15.0236 -6.0625
51 C1b C 17.2029 -5.6866
52 C1d C 17.8546 -6.0591
53 C1c C 18.5029 -5.6866
54 C1a C 17.8443 -6.7280
55 C1a C 17.8374 -5.2866
56 C5a C 19.1546 -6.0591
57 O1a O 18.5029 -4.9349
58 N1b N 19.8029 -5.6866
59 O5a O 19.1546 -6.8108
60 C1b C 20.4512 -6.0591
61 C1b C 21.1029 -5.6866
62 C5a C 21.7512 -6.0591
63 N1b N 22.3995 -5.6866
64 O5a O 21.7512 -6.8108
65 C1b C 23.0512 -6.0591
66 C1b C 23.6995 -5.6832
67 O1a O 25.7091 -6.0663
BOND 71
1 11 12 1
2 2 3 1
3 12 13 1
4 3 6 2
5 12 14 1
6 5 4 2
7 14 15 1
8 4 1 1
9 13 16 2
10 5 6 1
11 15 17 2
12 6 7 1
13 15 18 1
14 7 8 2
15 13 19 1
16 8 9 1
17 9 10 2
18 10 5 1
19 1 11 1
20 21 20 1 #Up
21 20 22 1
22 20 23 1
23 21 24 1
24 21 25 1
25 22 26 2
26 22 27 1
27 23 28 2
28 24 29 1
29 25 30 1
30 25 31 1 #Down
31 26 32 1
32 27 33 2
33 29 34 1 #Up
34 30 35 1 #Down
35 32 36 2
36 32 37 1
37 34 38 1
38 35 39 1
39 38 40 1
40 39 41 1
41 39 42 1
42 39 43 2
43 40 44 1
44 40 45 1
45 40 46 2
46 44 47 1
47 47 48 1
48 47 49 1
49 47 50 2
50 48 51 1
51 51 52 1
52 52 53 1
53 52 54 1
54 52 55 1
55 53 56 1
56 53 57 1
57 56 58 1
58 56 59 2
59 58 60 1
60 60 61 1
61 61 62 1
62 62 63 1
63 62 64 2
64 63 65 1
65 65 66 1
66 66 19 1
67 26 28 1
68 29 30 1
69 33 36 1
70 1 2 2
71 11 67 1
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