COMPOUND: C01284
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Entry
C01284 Compound
Name
1D-myo-Inositol 1,3,4,5,6-pentakisphosphate;
D-myo-Inositol 1,3,4,5,6-pentakisphosphate;
Inositol 1,3,4,5,6-pentakisphosphate
Formula
C6H17O21P5
Exact mass
579.895
Mol weight
580.0554
Structure
Mol file
KCF file
DB search
Reaction
R03478
R03479
R05202
R05801
R10065
R10953
Pathway
map00562
Inositol phosphate metabolism
map01100
Metabolic pathways
map04070
Phosphatidylinositol signaling system
Module
M00132
Inositol phosphate metabolism, Ins(1,3,4)P3 => phytate
Enzyme
2.7.1.134
2.7.1.140
2.7.1.151
2.7.1.158
Other DBs
PubChem:
4503
ChEBI:
16322
PDB-CCD:
5MY
[
PDBj
]
3DMET:
B01433
NIKKAJI:
J493.218H
LinkDB
All DBs
KCF data
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ATOM 32
1 C1y C 23.8501 -17.9023
2 C1y C 23.8501 -19.3010
3 C1y C 25.0613 -20.0003
4 C1y C 26.2727 -19.3010
5 C1y C 26.2727 -17.9023
6 C1y C 25.0613 -17.2030
7 O2b O 25.0613 -15.8045
8 O2b O 27.5026 -17.1920
9 O2b O 22.6389 -17.2030
10 O1a O 22.6389 -20.0003
11 O2b O 25.0613 -21.3988
12 O2b O 27.5026 -20.0113
13 P1b P 25.0613 -14.4059
14 O1c O 25.0613 -13.0072
15 O1c O 26.4600 -14.4059
16 O1c O 23.6627 -14.4059
17 P1b P 28.9013 -20.0113
18 O1c O 30.2999 -20.0113
19 O1c O 28.9013 -18.6126
20 O1c O 28.9013 -21.4100
21 P1b P 27.5026 -15.7933
22 O1c O 28.9013 -15.7933
23 O1c O 26.1039 -15.7933
24 O1c O 27.5026 -14.3947
25 P1b P 21.2402 -17.2030
26 O1c O 19.8415 -17.2030
27 O1c O 21.2402 -15.8043
28 O1c O 21.2402 -18.6016
29 P1b P 25.0613 -22.7974
30 O1c O 26.4600 -22.7974
31 O1c O 23.6627 -22.7974
32 O1c O 25.0613 -24.1961
BOND 32
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1 #Down
8 5 8 1 #Up
9 1 9 1 #Up
10 2 10 1 #Up
11 3 11 1 #Up
12 4 12 1 #Down
13 7 13 1
14 13 14 1
15 13 15 2
16 13 16 1
17 12 17 1
18 17 18 1
19 17 19 2
20 17 20 1
21 8 21 1
22 21 22 1
23 21 23 2
24 21 24 1
25 9 25 1
26 25 26 1
27 25 27 2
28 25 28 1
29 11 29 1
30 29 30 1
31 29 31 1
32 29 32 2
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