Entry |
|
Name |
|
Formula |
C23H36N7O19P3S
|
Exact mass |
839.1000
|
Mol weight |
839.56
|
Structure |

|
Reaction |
|
Pathway |
map00630 | Glyoxylate and dicarboxylate metabolism |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C00313 Oxalyl-CoA
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 53
1 C6a C 11.6900 -21.1400
2 C5a C 12.9500 -20.4400
3 S2a S 14.1400 -21.1400
4 C1b C 15.3300 -20.4400
5 C1b C 16.5900 -21.1400
6 N1b N 17.7800 -20.4400
7 C5a C 18.9700 -21.1400
8 C1b C 20.2300 -20.4400
9 C1b C 21.4200 -21.1400
10 N1b N 22.6100 -20.4400
11 C5a C 23.8700 -21.1400
12 C1c C 25.0600 -20.4400
13 C1d C 26.2500 -21.1400
14 C1b C 27.4400 -20.4400
15 O2b O 28.7000 -21.1400
16 O5a O 12.9500 -19.0400
17 O5a O 18.9700 -22.5400
18 O5a O 23.8700 -22.5400
19 O1a O 25.0600 -19.0400
20 C1a C 26.2500 -19.7400
21 C1a C 26.2500 -22.5400
22 P1b P 30.1000 -21.1400
23 O1c O 31.5000 -21.1400
24 O1c O 30.1000 -22.5400
25 C1y C 23.5900 -16.1700
26 C1y C 24.9900 -16.1700
27 C1y C 25.4100 -14.8400
28 O2x O 24.2900 -14.0000
29 C1y C 23.1700 -14.8400
30 C1b C 26.7400 -14.4200
31 O1a O 22.7500 -17.2900
32 O2b O 25.8300 -17.2900
33 P1b P 27.2300 -17.2900
34 O1c O 27.2300 -15.8900
35 O1c O 28.6300 -17.2900
36 O1c O 27.2300 -18.6900
37 C8y C 19.0400 -13.0200
38 C8y C 19.0400 -14.4200
39 N4y N 21.4900 -14.4200
40 C8x C 21.4900 -13.0200
41 N5x N 20.2300 -12.3200
42 C8y C 17.8500 -12.3200
43 N5x N 16.5900 -13.0200
44 C8x C 16.5900 -14.4200
45 N5x N 17.8500 -15.1200
46 N1a N 17.8500 -10.9200
47 O2b O 28.7000 -14.8400
48 P1b P 30.1000 -14.8400
49 O1c O 30.1000 -13.4400
50 O1c O 31.5000 -14.8400
51 O2c O 30.1000 -18.0600
52 O6a O 10.5000 -20.4400
53 O6a O 11.6900 -22.5400
BOND 55
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 1 53 2
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