COMPOUND: C20642
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Entry
C20642 Compound
Name
1-Archaetidyl-1D-myo-inositol 3-phosphate;
1-Saturated archaetidyl-1D-myo-inositol 3-phosphate;
Archaetidylinositol phosphate
Formula
C49H100O14P2
Exact mass
974.6588
Mol weight
975.2574
Structure
Mol file
KCF file
DB search
Reaction
R10464
Enzyme
2.7.8.39
Other DBs
PubChem:
172232366
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KCF data
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ATOM 65
1 O2b O 20.5557 -10.9167
2 C1b C 20.5557 -12.3247
3 C1c C 19.3589 -12.9583
4 O2a O 18.0916 -12.3247
5 C1b C 19.3589 -14.3664
6 C1b C 16.8948 -12.9583
7 O2a O 18.0916 -15.0704
8 C1b C 15.6276 -12.3247
9 C1b C 16.8948 -15.7744
10 C1c C 14.4308 -12.9583
11 C1b C 16.8948 -17.1824
12 C1b C 13.2339 -12.3247
13 C1a C 14.4308 -14.3664
14 C1c C 15.6276 -17.8865
15 C1b C 11.9667 -12.9583
16 C1b C 15.6276 -19.2945
17 C1a C 14.4308 -17.1824
18 C1b C 10.7699 -12.3247
19 C1b C 14.4308 -19.9985
20 C1c C 9.6434 -12.9583
21 C1b C 14.4308 -21.4066
22 C1b C 8.3762 -12.3951
23 C1a C 9.6434 -14.3664
24 C1c C 13.1635 -22.1106
25 C1b C 8.3762 -10.8463
26 C1b C 13.1635 -23.5186
27 C1a C 11.9667 -21.4066
28 C1b C 9.4322 -10.1423
29 C1b C 14.4308 -24.2930
30 C1c C 10.6995 -10.1423
31 C1b C 15.6276 -23.7298
32 C1b C 11.4035 -8.9454
33 C1a C 11.5443 -11.3391
34 C1c C 16.8244 -24.4338
35 C1b C 12.8115 -8.9454
36 C1b C 18.0916 -23.7298
37 C1a C 16.8244 -25.8419
38 C1b C 13.5155 -7.6782
39 C1b C 19.2885 -24.4338
40 C1c C 14.9236 -7.6782
41 C1b C 20.4853 -23.7298
42 C1a C 15.6276 -6.4814
43 C1a C 15.6276 -8.9454
44 C1c C 21.7525 -24.4338
45 C1a C 22.9494 -23.7298
46 C1a C 21.7525 -25.8419
47 O2b O 21.8933 -9.5087
48 P1b P 20.5557 -9.5087
49 O1c O 19.1477 -9.5087
50 O1c O 20.5557 -8.1006
51 C1y C 23.3014 -9.5087
52 C1y C 24.0054 -10.7280
53 C1y C 25.4134 -10.7280
54 C1y C 26.1174 -9.5087
55 C1y C 25.4134 -8.2893
56 C1y C 24.0054 -8.2893
57 O1a O 26.1078 -7.0869
58 O2b O 26.1078 -11.9304
59 O1a O 23.3110 -11.9304
60 O1a O 23.3110 -7.0869
61 O1a O 27.5255 -9.5087
62 P1b P 27.5158 -11.9304
63 O1c O 27.5158 -13.3384
64 O1c O 27.5158 -10.5223
65 O1c O 28.9239 -11.9304
BOND 65
1 1 2 1
2 2 3 1
3 3 4 1 #Down
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 10 13 1
13 11 14 1
14 12 15 1
15 14 16 1
16 14 17 1
17 15 18 1
18 16 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 20 23 1
23 21 24 1
24 22 25 1
25 24 26 1
26 24 27 1
27 25 28 1
28 26 29 1
29 28 30 1
30 29 31 1
31 30 32 1
32 30 33 1
33 31 34 1
34 32 35 1
35 34 36 1
36 34 37 1
37 35 38 1
38 36 39 1
39 38 40 1
40 39 41 1
41 40 42 1
42 40 43 1
43 41 44 1
44 44 45 1
45 44 46 1
46 47 48 1
47 48 1 1
48 48 49 1
49 48 50 2
50 51 47 1 #Up
51 51 52 1
52 52 53 1
53 53 54 1
54 54 55 1
55 55 56 1
56 51 56 1
57 55 57 1 #Up
58 53 58 1 #Up
59 52 59 1 #Up
60 56 60 1 #Down
61 54 61 1 #Down
62 58 62 1
63 62 63 1
64 62 64 2
65 62 65 1
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