COMPOUND: C18799
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Entry
C18799 Compound
Name
5-Methyl-H4SPT;
5-Methyl-tetrahydrosarcinapterin;
5-Methyltetrahydrosarcinapterin;
N5-Methyl-tetrahydrosarcinapterin
Formula
C36H54N7O19P
Exact mass
919.3212
Mol weight
919.82
Structure
Mol file
KCF file
DB search
Reaction
R10219
R10385
R12291
Pathway
map00680
Methane metabolism
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
map01200
Carbon metabolism
Enzyme
2.1.1.245
7.2.1.4
Other DBs
PubChem:
124489473
ChEBI:
64289
LinkDB
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KCF data
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ATOM 63
1 C8y C 12.1800 -25.9000
2 C8y C 12.1800 -27.3000
3 N1y N 13.3700 -25.1300
4 C8y C 10.9200 -25.2000
5 N1x N 13.3700 -28.0000
6 N5x N 10.9200 -28.0000
7 C1y C 14.6300 -25.9000
8 N4x N 9.7300 -25.9000
9 O5x O 10.9200 -23.8000
10 C1y C 14.6300 -27.3000
11 C8y C 9.7300 -27.3000
12 N1a N 8.5400 -28.0000
13 C1a C 15.8200 -28.0000
14 C1c C 15.6800 -24.9200
15 N1b N 15.1200 -23.5900
16 C8y C 16.3800 -22.9600
17 C8x C 16.3800 -21.4900
18 C8x C 17.5700 -23.6600
19 C8x C 17.5700 -20.7900
20 C8x C 18.7600 -22.9600
21 C8y C 18.7600 -21.4900
22 C1b C 20.0200 -20.7900
23 C1c C 21.2100 -21.4900
24 C1c C 22.4000 -20.7900
25 O1a O 21.2100 -22.8900
26 C1c C 23.5900 -21.4900
27 O1a O 22.4000 -19.3900
28 C1b C 24.8500 -20.7900
29 O1a O 23.6600 -22.8900
30 O2a O 26.0400 -21.4900
31 C1y C 27.3700 -21.0700
32 O2x O 28.4900 -21.9100
33 C1y C 27.7900 -19.7400
34 C1y C 29.6100 -21.0700
35 C1y C 29.1900 -19.7400
36 O1a O 26.9500 -18.6200
37 C1b C 30.9400 -21.4900
38 O1a O 30.0300 -18.6200
39 O2b O 31.2200 -22.8900
40 P1b P 32.6200 -22.8900
41 O2b O 34.0200 -22.8900
42 O1c O 32.6200 -21.4900
43 O1c O 32.6200 -24.2900
44 C1c C 35.3500 -23.3100
45 C1b C 35.6300 -24.7100
46 C1b C 34.5800 -25.6200
47 C6a C 34.8600 -26.9500
48 O6a O 33.8100 -27.9300
49 O6a O 36.1900 -27.4400
50 C5a C 36.4000 -22.4000
51 N1b N 37.7300 -22.8200
52 C1c C 38.7800 -21.9100
53 C1b C 40.1100 -22.3300
54 C1b C 41.1600 -21.4200
55 O5a O 36.1200 -21.0000
56 C6a C 38.5000 -20.5100
57 O6a O 37.1700 -20.0900
58 O6a O 39.5500 -19.6000
59 C6a C 42.4900 -21.8400
60 O6a O 43.5400 -20.9300
61 O6a O 42.7700 -23.1700
62 C1a C 13.3520 -23.7301
63 C1a C 17.0490 -25.2128
BOND 66
1 1 3 1
2 1 4 1
3 2 5 1
4 2 6 1
5 3 7 1
6 4 8 1
7 4 9 2
8 5 10 1
9 6 11 2
10 11 12 1
11 7 10 1
12 8 11 1
13 1 2 2
14 10 13 1 #Down
15 7 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 16 18 2
20 17 19 2
21 18 20 1
22 19 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 23 25 1 #Up
27 24 26 1
28 24 27 1 #Down
29 26 28 1
30 26 29 1 #Up
31 28 30 1
32 31 30 1 #Down
33 31 32 1
34 31 33 1
35 32 34 1
36 33 35 1
37 33 36 1 #Down
38 34 37 1 #Up
39 35 38 1 #Down
40 37 39 1
41 39 40 1
42 40 41 1
43 40 42 1
44 40 43 2
45 41 44 1
46 44 45 1
47 45 46 1
48 46 47 1
49 47 48 1
50 47 49 2
51 20 21 2
52 34 35 1
53 44 50 1 #Down
54 50 51 1
55 52 51 1 #Down
56 52 53 1
57 53 54 1
58 50 55 2
59 52 56 1
60 56 57 1
61 56 58 2
62 54 59 1
63 59 60 1
64 59 61 2
65 3 62 1
66 14 63 1 #Down
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