| Entry |
|
|---|
| Name |
3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA
|
|---|
| Formula |
C31H52N7O18P3S
|
|---|
| Exact mass |
935.2302
|
|---|
| Mol weight |
935.77
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00907 | Pinene, camphor and geraniol degradation |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C11947 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 60
1 S2a S 19.3900 -18.6200
2 C1b C 20.5800 -17.9200
3 C1b C 21.8400 -18.6200
4 N1b N 23.0300 -17.9200
5 C5a C 24.2200 -18.6200
6 C1b C 25.4800 -17.9200
7 C1b C 26.6700 -18.6200
8 N1b N 27.8600 -17.9200
9 C5a C 29.1200 -18.6200
10 C1c C 30.3100 -17.9200
11 C1d C 31.5000 -18.6200
12 C1b C 32.6900 -17.9200
13 O2b O 33.9500 -18.6200
14 O5a O 24.2200 -20.0200
15 O5a O 29.1200 -20.0200
16 O1a O 30.3100 -16.5200
17 C1a C 31.5000 -17.2200
18 C1a C 31.5000 -20.0200
19 P1b P 35.3500 -18.6200
20 O1c O 36.7500 -18.6200
21 O1c O 35.3500 -20.0200
22 C1y C 28.8400 -13.6500
23 C1y C 30.2400 -13.6500
24 C1y C 30.6600 -12.3200
25 O2x O 29.5400 -11.4800
26 C1y C 28.4200 -12.3200
27 C1b C 31.9900 -11.9000
28 O1a O 28.0000 -14.7700
29 O2b O 31.0800 -14.7700
30 P1b P 32.4800 -14.7700
31 O1c O 32.4800 -13.3700
32 O1c O 33.8800 -14.7700
33 O1c O 32.4800 -16.1700
34 C8y C 24.2900 -10.5000
35 C8y C 24.2900 -11.9000
36 N4y N 26.7400 -11.9000
37 C8x C 26.7400 -10.5000
38 N5x N 25.4800 -9.8000
39 C8y C 23.1000 -9.8000
40 N5x N 21.8400 -10.5000
41 C8x C 21.8400 -11.9000
42 N5x N 23.1000 -12.6000
43 N1a N 23.1000 -8.4000
44 O2b O 33.9500 -12.3200
45 P1b P 35.3500 -12.3200
46 O1c O 35.3500 -10.9200
47 O1c O 36.7500 -12.3200
48 O2c O 35.3500 -15.5400
49 C1c C 18.4100 -20.6500
50 C1c C 19.5300 -21.2800
51 C1b C 19.5300 -22.5400
52 C2c C 18.4100 -23.1700
53 C2a C 17.2900 -22.5400
54 C1a C 17.2900 -21.2800
55 C1c C 18.4100 -24.5000
56 C1a C 19.5300 -25.1300
57 C1a C 17.3600 -25.1300
58 C5a C 18.4100 -19.3200
59 O5a O 17.2900 -18.6900
60 O1a O 20.6500 -20.6500
BOND 62
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 50 51 1
52 51 52 1
53 52 53 2
54 49 54 1 #Either
55 52 55 1
56 55 56 1
57 55 57 1
58 49 50 1
59 1 58 1
60 58 49 1
61 58 59 2
62 50 60 1 #Either
|
|---|
