| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C31H54N7O17P3S
|
|---|
| Exact mass |
921.2510
|
|---|
| Mol weight |
921.79
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Module |
| M00085 | Fatty acid elongation in mitochondria |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C05274 Decanoyl-CoA
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 59
1 S2a S 18.6873 -20.5800
2 C1b C 19.8997 -19.8800
3 C1b C 21.1122 -20.5800
4 N1b N 22.3246 -19.8800
5 C5a C 23.5370 -20.5800
6 C1b C 24.7495 -19.8800
7 C1b C 25.9619 -20.5800
8 N1b N 27.1744 -19.8800
9 C5a C 28.3868 -20.5800
10 C1c C 29.5992 -19.8800
11 C1d C 30.8117 -20.5800
12 C1b C 32.0241 -19.8800
13 O2b O 33.2365 -20.5800
14 O5a O 23.5370 -21.9799
15 O5a O 28.3868 -21.9796
16 O1a O 29.5992 -18.4800
17 C1a C 30.8117 -19.1800
18 C1a C 30.8117 -21.9800
19 P1b P 34.6365 -20.5800
20 O1c O 36.0365 -20.5800
21 O1c O 34.6365 -21.9800
22 C1y C 28.1400 -15.6100
23 C1y C 29.5400 -15.6100
24 C1y C 29.9726 -14.2785
25 O2x O 28.8400 -13.4556
26 C1y C 27.7074 -14.2785
27 C1b C 31.2922 -13.8497
28 O1a O 27.3171 -16.7426
29 O2b O 30.3629 -16.7426
30 P1b P 31.7629 -16.7426
31 O1c O 31.7629 -15.3426
32 O1c O 33.1629 -16.7426
33 O1c O 31.7629 -18.1426
34 C8y C 23.5900 -12.4600
35 C8y C 23.5900 -13.8600
36 N4y N 26.0149 -13.8600
37 C8x C 26.0149 -12.4600
38 N5x N 24.8024 -11.7600
39 C8y C 22.3776 -11.7600
40 N5x N 21.1651 -12.4600
41 C8x C 21.1651 -13.8600
42 N5x N 22.3776 -14.5600
43 N1a N 22.3776 -10.3602
44 O2b O 33.2745 -14.2820
45 P1b P 34.6745 -14.2820
46 O1c O 34.6745 -12.8820
47 O1c O 36.0745 -14.2820
48 O2c O 34.6745 -17.5020
49 C5a C 17.4776 -19.8800
50 C1b C 16.2651 -20.5800
51 C1b C 15.0527 -19.8800
52 C1b C 13.8403 -20.5800
53 C1b C 12.6278 -19.8800
54 C1b C 11.4154 -20.5800
55 C1b C 10.2030 -19.8800
56 C1b C 8.9905 -20.5800
57 C1b C 7.7781 -19.8800
58 C1a C 6.5656 -20.5800
59 O5a O 17.4782 -18.4802
BOND 61
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 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 1 49 1
52 49 50 1
53 50 51 1
54 51 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 57 58 1
61 49 59 2
|
|---|
