COMPOUND: C04477
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Entry
C04477 Compound
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
Structure
Mol file
KCF file
DB search
Reaction
R03429
R03478
Pathway
map00562
Inositol phosphate metabolism
map01100
Metabolic pathways
map04070
Phosphatidylinositol signaling system
Module
M00132
Inositol phosphate metabolism, Ins(1,3,4)P3 => phytate
Enzyme
2.7.1.140
2.7.1.159
Other DBs
PubChem:
7097
ChEBI:
16155
PDB-CCD:
I4P
[
PDBj
]
3DMET:
B01746
NIKKAJI:
J488.540F
LinkDB
All DBs
KCF data
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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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