| Entry |
|
|---|
| Name |
(3S)-Citramalyl-CoA;
L-Citramalyl-CoA;
(S)-Citramalyl-CoA;
(3S)-3-Carboxy-3-hydroxybutanoyl-CoA
|
|---|
| Formula |
C26H42N7O20P3S
|
|---|
| Exact mass |
897.1418
|
|---|
| Mol weight |
897.64
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00660 | C5-Branched dibasic acid metabolism |
| map01120 | Microbial metabolism in diverse environments |
|
|---|
| Module |
| M00376 | 3-Hydroxypropionate bi-cycle |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C01011 (3S)-Citramalyl-CoA
|
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| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 57
1 C1b C 10.5224 -20.5800
2 C5a C 11.7349 -19.8800
3 S2a S 12.9473 -20.5800
4 C1b C 14.1597 -19.8800
5 C1b C 15.3722 -20.5800
6 N1b N 16.5846 -19.8800
7 C5a C 17.7970 -20.5800
8 C1b C 19.0095 -19.8800
9 C1b C 20.2219 -20.5800
10 N1b N 21.4344 -19.8800
11 C5a C 22.6468 -20.5800
12 C1c C 23.8592 -19.8800
13 C1d C 25.0717 -20.5800
14 C1b C 26.2841 -19.8800
15 O2b O 27.4965 -20.5800
16 O5a O 11.7349 -18.4802
17 O5a O 17.7970 -21.9799
18 O5a O 22.6468 -21.9796
19 O1a O 23.8592 -18.4800
20 C1a C 25.0717 -19.1800
21 C1a C 25.0717 -21.9800
22 P1b P 28.8965 -20.5800
23 O1c O 30.2965 -20.5800
24 O1c O 28.8965 -21.9800
25 C1y C 22.4000 -15.6100
26 C1y C 23.8000 -15.6100
27 C1y C 24.2326 -14.2785
28 O2x O 23.1000 -13.4556
29 C1y C 21.9674 -14.2785
30 C1b C 25.5522 -13.8497
31 O1a O 21.5771 -16.7426
32 O2b O 24.6229 -16.7426
33 P1b P 26.0229 -16.7426
34 O1c O 26.0229 -15.3426
35 O1c O 27.4229 -16.7426
36 O1c O 26.0229 -18.1426
37 C8y C 17.8500 -12.4600
38 C8y C 17.8500 -13.8600
39 N4y N 20.2749 -13.8600
40 C8x C 20.2749 -12.4600
41 N5x N 19.0624 -11.7600
42 C8y C 16.6376 -11.7600
43 N5x N 15.4251 -12.4600
44 C8x C 15.4251 -13.8600
45 N5x N 16.6376 -14.5600
46 N1a N 16.6376 -10.3602
47 O2b O 27.5345 -14.2820
48 P1b P 28.9345 -14.2820
49 O1c O 28.9345 -12.8820
50 O1c O 30.3345 -14.2820
51 O2c O 28.9345 -17.5020
52 C1d C 9.2933 -19.8702
53 C6a C 8.0892 -20.5653
54 O6a O 6.9063 -19.8822
55 O6a O 8.0888 -21.9797
56 C1a C 8.3033 -18.8802
57 O1a O 10.2832 -18.8802
BOND 59
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 53 54 1
57 53 55 2
58 52 56 1 #Down
59 52 57 1 #Up
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