COMPOUND: C04520
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Entry
C04520 Compound
Name
1D-myo-Inositol 3,4,5,6-tetrakisphosphate;
D-myo-Inositol 3,4,5,6-tetrakisphosphate;
Inositol 3,4,5,6-tetrakisphosphate
Formula
C6H16O18P4
Exact mass
499.9287
Mol weight
500.08
Structure
Mol file
KCF file
DB search
Reaction
R03479
Pathway
map00562
Inositol phosphate metabolism
map01100
Metabolic pathways
Enzyme
2.7.1.134
Other DBs
PubChem:
7132
ChEBI:
15844
PDB-CCD:
4MY
[
PDBj
]
NIKKAJI:
J709.342J
LinkDB
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KCF data
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ATOM 28
1 P1b P 26.5048 -16.1935
2 O2b O 26.5048 -17.5795
3 O1c O 27.8971 -16.1935
4 O1c O 26.5048 -14.8012
5 O1c O 25.1123 -16.1935
6 C1y C 24.9208 -17.9690
7 C1y C 24.9208 -19.3742
8 C1y C 23.7009 -17.2729
9 C1y C 23.7009 -20.0831
10 O2b O 26.1216 -20.0640
11 C1y C 22.5001 -17.9690
12 O2b O 23.7009 -15.8932
13 C1y C 22.5001 -19.3742
14 O2b O 23.6944 -21.4626
15 P1b P 27.5074 -20.0640
16 O1a O 21.2931 -17.2729
17 P1b P 23.7009 -14.5009
18 O1a O 21.2931 -20.0640
19 P1b P 23.6944 -22.8551
20 O1c O 28.8999 -20.0640
21 O1c O 27.5074 -18.6780
22 O1c O 27.5074 -21.4563
23 O1c O 25.0932 -14.5009
24 O1c O 23.7009 -13.1149
25 O1c O 22.3149 -14.5009
26 O1c O 25.0867 -22.8551
27 O1c O 23.6944 -24.2409
28 O1c O 22.3084 -22.8551
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 #Down
12 9 13 1
13 9 14 1 #Up
14 10 15 1
15 11 16 1 #Up
16 12 17 1
17 13 18 1 #Up
18 14 19 1
19 15 20 1
20 15 21 2
21 15 22 1
22 17 23 2
23 17 24 1
24 17 25 1
25 19 26 1
26 19 27 2
27 19 28 1
28 11 13 1
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