| | COMPOUND: C04477 | |
Entry |
|
Name |
1D-myo-Inositol 1,3,4,6-tetrakisphosphate;
D-myo-Inositol 1,3,4,6-tetrakisphosphate;
Inositol 1,3,4,6-tetrakisphosphate
|
Formula |
C6H16O18P4
|
Exact mass |
499.9287
|
Mol weight |
500.0755
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Structure |
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Reaction |
|
Pathway |
map04070 | Phosphatidylinositol signaling system |
|
Module |
M00132 | Inositol phosphate metabolism, Ins(1,3,4)P3 => phytate |
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Enzyme |
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Other DBs |
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KCF data |
ATOM 28
1 P1b P 22.2565 -20.5929
2 O2b O 23.6513 -20.5992
3 O1c O 20.8554 -20.5929
4 O1c O 22.2565 -19.1981
5 O1c O 22.2502 -21.9940
6 C1y C 25.0524 -20.5929
7 C1y C 25.7530 -19.2888
8 C1y C 25.7722 -21.8012
9 C1y C 27.1735 -19.3459
10 O2b O 25.0460 -18.1633
11 C1y C 27.1670 -21.7947
12 O1a O 25.0846 -23.0223
13 C1y C 27.8676 -20.5671
14 O1a O 27.8676 -18.1377
15 P1b P 25.0524 -16.7687
16 O2b O 27.8740 -22.9967
17 O2b O 29.2624 -20.5671
18 O1c O 23.6513 -16.7687
19 O1c O 25.0524 -15.3674
20 O1c O 26.4471 -16.7750
21 P1b P 27.8676 -24.3913
22 P1b P 30.6569 -20.5671
23 O1c O 29.2687 -24.3978
24 O1c O 26.4729 -24.3913
25 O1c O 27.8611 -25.7926
26 O1c O 32.0582 -20.5737
27 O1c O 30.6635 -19.1660
28 O1c O 30.6506 -21.9619
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 6 2 1 #Up
6 6 7 1
7 6 8 1
8 7 9 1
9 7 10 1 #Down
10 8 11 1
11 8 12 1 #Up
12 9 13 1
13 9 14 1 #Up
14 10 15 1
15 11 16 1 #Up
16 13 17 1 #Down
17 15 18 1
18 15 19 1
19 15 20 2
20 16 21 1
21 17 22 1
22 21 23 1
23 21 24 1
24 21 25 2
25 22 26 1
26 22 27 1
27 22 28 2
28 11 13 1
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