| Entry |
|
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| Name |
(S)-3-Hydroxy-3-methylglutaryl-CoA;
Hydroxymethylglutaryl-CoA;
Hydroxymethylglutaroyl coenzyme A;
HMG-CoA;
3-Hydroxy-3-methylglutaryl-CoA
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| Formula |
C27H44N7O20P3S
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| Exact mass |
911.1575
|
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| Mol weight |
911.66
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| Structure |
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| Reaction |
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| Pathway |
| map00280 | Valine, leucine and isoleucine degradation |
| map00900 | Terpenoid backbone biosynthesis |
| map01060 | Biosynthesis of plant secondary metabolites |
| map01062 | Biosynthesis of terpenoids and steroids |
| map01066 | Biosynthesis of alkaloids derived from terpenoid and polyketide |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00036 | Leucine degradation, leucine => acetoacetate + acetyl-CoA |
| M00088 | Ketone body biosynthesis, acetyl-CoA => acetoacetate/3-hydroxybutyrate/acetone |
| M00095 | C5 isoprenoid biosynthesis, mevalonate pathway |
| M00849 | C5 isoprenoid biosynthesis, mevalonate pathway, archaea |
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C00356 (S)-3-Hydroxy-3-methylglutaryl-CoA
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| Other DBs |
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| KCF data |
ATOM 58
1 C1b C 30.7524 -36.4000
2 C5a C 31.9649 -35.7000
3 S2a S 33.1773 -36.4000
4 C1b C 34.3897 -35.7000
5 C1b C 35.6022 -36.4000
6 N1b N 36.8146 -35.7000
7 C5a C 38.0270 -36.4000
8 C1b C 39.2395 -35.7000
9 C1b C 40.4519 -36.4000
10 N1b N 41.6644 -35.7000
11 C5a C 42.8768 -36.4000
12 C1c C 44.0892 -35.7000
13 C1d C 45.3017 -36.4000
14 C1b C 46.5141 -35.7000
15 O2b O 47.7265 -36.4000
16 O5a O 31.9649 -34.3002
17 O5a O 38.0270 -37.7999
18 O5a O 42.8768 -37.7996
19 O1a O 44.0892 -34.3000
20 C1a C 45.3017 -35.0000
21 C1a C 45.3017 -37.8000
22 P1b P 49.1265 -36.4000
23 O1c O 50.5265 -36.4000
24 O1c O 49.1265 -37.8000
25 C1y C 42.6300 -31.4300
26 C1y C 44.0300 -31.4300
27 C1y C 44.4626 -30.0985
28 O2x O 43.3300 -29.2756
29 C1y C 42.1974 -30.0985
30 C1b C 45.7822 -29.6697
31 O1a O 41.8071 -32.5626
32 O2b O 44.8529 -32.5626
33 P1b P 46.2529 -32.5626
34 O1c O 46.2529 -31.1626
35 O1c O 47.6529 -32.5626
36 O1c O 46.2529 -33.9626
37 C8y C 38.0800 -28.2800
38 C8y C 38.0800 -29.6800
39 N4y N 40.5049 -29.6800
40 C8x C 40.5049 -28.2800
41 N5x N 39.2924 -27.5800
42 C8y C 36.8676 -27.5800
43 N5x N 35.6551 -28.2800
44 C8x C 35.6551 -29.6800
45 N5x N 36.8676 -30.3800
46 N1a N 36.8676 -26.1802
47 O2b O 47.7645 -30.1020
48 P1b P 49.1645 -30.1020
49 O1c O 49.1645 -28.7020
50 O1c O 50.5645 -30.1020
51 O2c O 49.1645 -33.3220
52 C1d C 29.5233 -35.6902
53 C1b C 28.3192 -36.3853
54 C6a C 27.1363 -35.7022
55 O6a O 25.9426 -36.3914
56 O6a O 27.1363 -34.3002
57 C1a C 28.5333 -34.7002
58 O1a O 30.5132 -34.7002
BOND 60
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 54 55 1
58 54 56 2
59 52 57 1 #Up
60 52 58 1 #Down
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