Entry |
|
Name |
|
Formula |
C26H40N7O19P3S
|
Exact mass |
879.1313
|
Mol weight |
879.62
|
Structure |
|
Reaction |
|
Pathway |
map00660 | C5-Branched dibasic acid metabolism |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C00531 Itaconyl-CoA
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 56
1 C1b C 30.1924 -35.3500
2 C5a C 31.4049 -34.6500
3 S2a S 32.6173 -35.3500
4 C1b C 33.8297 -34.6500
5 C1b C 35.0422 -35.3500
6 N1b N 36.2546 -34.6500
7 C5a C 37.4670 -35.3500
8 C1b C 38.6795 -34.6500
9 C1b C 39.8919 -35.3500
10 N1b N 41.1044 -34.6500
11 C5a C 42.3168 -35.3500
12 C1c C 43.5292 -34.6500
13 C1d C 44.7417 -35.3500
14 C1b C 45.9541 -34.6500
15 O2b O 47.1665 -35.3500
16 O5a O 31.4049 -33.2502
17 O5a O 37.4670 -36.7499
18 O5a O 42.3168 -36.7496
19 O1a O 43.5292 -33.2500
20 C1a C 44.7417 -33.9500
21 C1a C 44.7417 -36.7500
22 P1b P 48.5665 -35.3500
23 O1c O 49.9665 -35.3500
24 O1c O 48.5665 -36.7500
25 C1y C 42.0700 -30.3800
26 C1y C 43.4700 -30.3800
27 C1y C 43.9026 -29.0485
28 O2x O 42.7700 -28.2256
29 C1y C 41.6374 -29.0485
30 C1b C 45.2222 -28.6197
31 O1a O 41.2471 -31.5126
32 O2b O 44.2929 -31.5126
33 P1b P 45.6929 -31.5126
34 O1c O 45.6929 -30.1126
35 O1c O 47.0929 -31.5126
36 O1c O 45.6929 -32.9126
37 C8y C 37.5200 -27.2300
38 C8y C 37.5200 -28.6300
39 N4y N 39.9449 -28.6300
40 C8x C 39.9449 -27.2300
41 N5x N 38.7324 -26.5300
42 C8y C 36.3076 -26.5300
43 N5x N 35.0951 -27.2300
44 C8x C 35.0951 -28.6300
45 N5x N 36.3076 -29.3300
46 N1a N 36.3076 -25.1302
47 O2b O 47.2045 -29.0520
48 P1b P 48.6045 -29.0520
49 O1c O 48.6045 -27.6520
50 O1c O 50.0045 -29.0520
51 O2c O 48.6045 -32.2720
52 C2c C 28.9633 -34.6402
53 C6a C 27.7592 -35.3353
54 O6a O 26.5763 -34.6522
55 O6a O 27.7588 -36.7497
56 C2a C 28.9635 -33.2501
BOND 58
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 52 56 2
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