| | COMPOUND: C07343 | |
Entry |
|
Name |
|
Formula |
C41H74N7O18P3S
|
Exact mass |
1077.4024
|
Mol weight |
1078.0486
|
Structure |
|
Reaction |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C07343 2-Hydroxyphytanoyl-CoA
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Other DBs |
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KCF data |
ATOM 70
1 C1c C 19.6000 -22.6800
2 C5a C 20.8600 -21.9800
3 S2a S 22.0500 -22.6800
4 C1b C 23.2400 -21.9800
5 C1b C 24.5000 -22.6800
6 N1b N 25.6900 -21.9800
7 C5a C 26.8800 -22.6800
8 C1b C 28.1400 -21.9800
9 C1b C 29.3300 -22.6800
10 N1b N 30.5200 -21.9800
11 C5a C 31.7800 -22.6800
12 C1c C 32.9700 -21.9800
13 C1d C 34.1600 -22.6800
14 C1b C 35.3500 -21.9800
15 O2b O 36.6100 -22.6800
16 O5a O 20.8600 -20.5800
17 O5a O 26.8800 -24.0800
18 O5a O 31.7800 -24.0800
19 O1a O 32.9700 -20.5800
20 C1a C 34.1600 -21.2800
21 C1a C 34.1600 -24.0800
22 P1b P 38.0100 -22.6800
23 O1c O 39.4100 -22.6800
24 O1c O 38.0100 -24.0800
25 C1y C 31.5000 -17.7100
26 C1y C 32.9000 -17.7100
27 C1y C 33.3200 -16.3800
28 O2x O 32.2000 -15.5400
29 C1y C 31.0800 -16.3800
30 C1b C 34.6500 -15.9600
31 O1a O 30.6600 -18.8300
32 O2b O 33.7400 -18.8300
33 P1b P 35.1400 -18.8300
34 O1c O 35.1400 -17.4300
35 O1c O 36.5400 -18.8300
36 O1c O 35.1400 -20.2300
37 C8y C 26.9500 -14.5600
38 C8y C 26.9500 -15.9600
39 N4y N 29.4000 -15.9600
40 C8x C 29.4000 -14.5600
41 N5x N 28.1400 -13.8600
42 C8y C 25.7600 -13.8600
43 N5x N 24.5000 -14.5600
44 C8x C 24.5000 -15.9600
45 N5x N 25.7600 -16.6600
46 N1a N 25.7600 -12.4600
47 O2b O 36.6100 -16.3800
48 P1b P 38.0100 -16.3800
49 O1c O 38.0100 -14.9800
50 O1c O 39.4100 -16.3800
51 O2c O 38.0100 -19.6000
52 C1c C 18.4100 -22.0500
53 C1b C 17.2900 -22.7500
54 C1a C 18.4100 -20.7900
55 C1b C 16.1700 -22.0500
56 C1b C 15.0500 -22.7500
57 C1c C 13.9300 -22.0500
58 C1b C 12.7400 -22.7500
59 C1a C 13.9300 -20.7900
60 C1b C 11.6200 -22.0500
61 C1b C 10.5000 -22.7500
62 C1c C 9.3800 -22.0500
63 C1b C 8.1900 -22.7500
64 C1a C 9.3800 -20.7900
65 C1b C 7.0700 -22.0500
66 C1b C 5.9500 -22.7500
67 C1c C 4.8300 -22.0500
68 C1a C 3.7100 -22.7500
69 C1a C 4.8300 -20.7900
70 O1a O 19.6141 -24.0799
BOND 72
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 52 54 1 #Down
57 53 55 1
58 55 56 1
59 56 57 1
60 57 58 1
61 57 59 1 #Up
62 58 60 1
63 60 61 1
64 61 62 1
65 62 63 1
66 62 64 1 #Up
67 63 65 1
68 65 66 1
69 66 67 1
70 67 68 1
71 67 69 1
72 1 70 1
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