| Entry |
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| Name |
3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA;
Isohexenyl-glutaconyl-CoA
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| Formula |
C32H50N7O19P3S
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| Exact mass |
961.2095
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| Mol weight |
961.7612
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| Structure |
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| Reaction |
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| Pathway |
| map00907 | Pinene, camphor and geraniol degradation |
| map01120 | Microbial metabolism in diverse environments |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C01291 3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 62
1 C2b C 31.3824 -37.3800
2 C5a C 32.5949 -36.6800
3 S2a S 33.8073 -37.3800
4 C1b C 35.0197 -36.6800
5 C1b C 36.2322 -37.3800
6 N1b N 37.4446 -36.6800
7 C5a C 38.6570 -37.3800
8 C1b C 39.8695 -36.6800
9 C1b C 41.0819 -37.3800
10 N1b N 42.2944 -36.6800
11 C5a C 43.5068 -37.3800
12 C1c C 44.7192 -36.6800
13 C1d C 45.9317 -37.3800
14 C1b C 47.1441 -36.6800
15 O2b O 48.3565 -37.3800
16 O5a O 32.5949 -35.2802
17 O5a O 38.6570 -38.7799
18 O5a O 43.5068 -38.7796
19 O1a O 44.7192 -35.2800
20 C1a C 45.9317 -35.9800
21 C1a C 45.9317 -38.7800
22 P1b P 49.7565 -37.3800
23 O1c O 51.1565 -37.3800
24 O1c O 49.7565 -38.7800
25 C1y C 43.2600 -32.4100
26 C1y C 44.6600 -32.4100
27 C1y C 45.0926 -31.0785
28 O2x O 43.9600 -30.2556
29 C1y C 42.8274 -31.0785
30 C1b C 46.4122 -30.6497
31 O1a O 42.4371 -33.5426
32 O2b O 45.4829 -33.5426
33 P1b P 46.8829 -33.5426
34 O1c O 46.8829 -32.1426
35 O1c O 48.2829 -33.5426
36 O1c O 46.8829 -34.9426
37 C8y C 38.7100 -29.2600
38 C8y C 38.7100 -30.6600
39 N4y N 41.1349 -30.6600
40 C8x C 41.1349 -29.2600
41 N5x N 39.9224 -28.5600
42 C8y C 37.4976 -28.5600
43 N5x N 36.2851 -29.2600
44 C8x C 36.2851 -30.6600
45 N5x N 37.4976 -31.3600
46 N1a N 37.4976 -27.1602
47 O2b O 48.3945 -31.0820
48 P1b P 49.7945 -31.0820
49 O1c O 49.7945 -29.6820
50 O1c O 51.1945 -31.0820
51 O2c O 49.7945 -34.3020
52 C2c C 30.1533 -36.6702
53 C1b C 28.9492 -37.3653
54 C1b C 30.1535 -35.2801
55 C1b C 28.9536 -34.5870
56 C2b C 27.7639 -35.2736
57 C2c C 26.5740 -34.5863
58 C1a C 25.3837 -35.2733
59 C1a C 26.5741 -33.1802
60 C6a C 28.9488 -38.7797
61 O6a O 27.7596 -39.4661
62 O6a O 30.1844 -39.4937
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 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 2
55 52 53 1
56 52 54 1
57 54 55 1
58 55 56 1
59 56 57 2
60 57 58 1
61 57 59 1
62 53 60 1
63 60 61 1
64 60 62 2
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