| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C33H56N7O18P3S
|
|---|
| Exact mass |
963.2615
|
|---|
| Mol weight |
963.82
|
|---|
| 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
C05263 3-Oxododecanoyl-CoA
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 62
1 S2a S 17.2173 -20.5800
2 C1b C 18.4297 -19.8800
3 C1b C 19.6422 -20.5800
4 N1b N 20.8546 -19.8800
5 C5a C 22.0670 -20.5800
6 C1b C 23.2795 -19.8800
7 C1b C 24.4919 -20.5800
8 N1b N 25.7044 -19.8800
9 C5a C 26.9168 -20.5800
10 C1c C 28.1292 -19.8800
11 C1d C 29.3417 -20.5800
12 C1b C 30.5541 -19.8800
13 O2b O 31.7665 -20.5800
14 O5a O 22.0670 -21.9799
15 O5a O 26.9168 -21.9796
16 O1a O 28.1292 -18.4800
17 C1a C 29.3417 -19.1800
18 C1a C 29.3417 -21.9800
19 P1b P 33.1665 -20.5800
20 O1c O 34.5665 -20.5800
21 O1c O 33.1665 -21.9800
22 C1y C 26.6700 -15.6100
23 C1y C 28.0700 -15.6100
24 C1y C 28.5026 -14.2785
25 O2x O 27.3700 -13.4556
26 C1y C 26.2374 -14.2785
27 C1b C 29.8222 -13.8497
28 O1a O 25.8471 -16.7426
29 O2b O 28.8929 -16.7426
30 P1b P 30.2929 -16.7426
31 O1c O 30.2929 -15.3426
32 O1c O 31.6929 -16.7426
33 O1c O 30.2929 -18.1426
34 C8y C 22.1200 -12.4600
35 C8y C 22.1200 -13.8600
36 N4y N 24.5449 -13.8600
37 C8x C 24.5449 -12.4600
38 N5x N 23.3324 -11.7600
39 C8y C 20.9076 -11.7600
40 N5x N 19.6951 -12.4600
41 C8x C 19.6951 -13.8600
42 N5x N 20.9076 -14.5600
43 N1a N 20.9076 -10.3602
44 O2b O 31.8045 -14.2820
45 P1b P 33.2045 -14.2820
46 O1c O 33.2045 -12.8820
47 O1c O 34.6045 -14.2820
48 O2c O 33.2045 -17.5020
49 C5a C 16.0076 -19.8800
50 C1b C 14.7951 -20.5800
51 C5a C 13.5827 -19.8800
52 C1b C 12.3703 -20.5800
53 C1b C 11.1578 -19.8800
54 C1b C 9.9454 -20.5800
55 C1b C 8.7330 -19.8800
56 C1b C 7.5205 -20.5800
57 C1b C 6.3081 -19.8800
58 C1b C 5.0956 -20.5800
59 C1b C 3.8832 -19.8800
60 O5a O 16.0082 -18.4802
61 O5a O 13.5827 -18.4800
62 C1a C 2.6461 -20.5946
BOND 64
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 58 59 1
62 49 60 2
63 51 61 2
64 59 62 1
|
|---|
