COMPOUND: C04563
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Entry
C04563 Compound
Name
D-myo-Inositol 1,2,4,5,6-pentakisphosphate;
1D-myo-Inositol 1,2,4,5,6-pentakisphosphate;
myo-Inositol 1,2,4,5,6-pentakisphosphate;
Inositol 1,2,4,5,6-pentakisphosphate
Formula
C6H17O21P5
Exact mass
579.895
Mol weight
580.0554
Structure
Mol file
KCF file
DB search
Reaction
R03371
Pathway
map00562
Inositol phosphate metabolism
map01100
Metabolic pathways
Enzyme
3.1.3.8
Other DBs
CAS:
20298-95-7
PubChem:
7166
ChEBI:
16507
PDB-CCD:
ZNZ
[
PDBj
]
3DMET:
B01757
NIKKAJI:
J608.454K
LinkDB
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KCF data
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ATOM 32
1 O1c O 21.0736 -22.1179
2 P1b P 22.4632 -22.1121
3 O2b O 22.4632 -20.7249
4 O1c O 22.4632 -23.4994
5 P1b P 25.0327 -15.0929
6 O2b O 25.0269 -16.4761
7 O1c O 23.6480 -15.0987
8 O1c O 25.0269 -13.7013
9 O1c O 26.4243 -15.0929
10 O1a O 25.0269 -22.0269
11 P1b P 27.6667 -16.4614
12 O2b O 27.6609 -17.8448
13 O1c O 26.2822 -16.4671
14 O1c O 27.6609 -15.0698
15 O1c O 29.0583 -16.4614
16 C1y C 26.2387 -18.5383
17 C1y C 26.2387 -19.9331
18 C1y C 25.0269 -17.8595
19 C1y C 25.0269 -20.6436
20 O2b O 27.4388 -20.6319
21 C1y C 23.8395 -18.5383
22 C1y C 23.8395 -19.9331
23 P1b P 28.8246 -20.6262
24 O2b O 22.6309 -17.8454
25 O1c O 30.2081 -20.6262
26 O1c O 28.8246 -19.2428
27 O1c O 28.8246 -22.0176
28 P1b P 21.2477 -17.8338
29 O1c O 19.8561 -17.8338
30 O1c O 21.2534 -16.4421
31 O1c O 21.3118 -19.2170
32 O1c O 23.8700 -22.1121
BOND 32
1 2 4 1
2 5 6 1
3 5 7 1
4 5 8 1
5 5 9 2
6 1 2 1
7 2 3 1
8 11 12 1
9 11 13 2
10 11 14 1
11 11 15 1
12 16 12 1 #Up
13 16 17 1
14 16 18 1
15 17 19 1
16 17 20 1 #Down
17 18 21 1
18 18 6 1 #Down
19 19 22 1
20 19 10 1 #Up
21 20 23 1
22 21 24 1 #Up
23 22 3 1 #Up
24 23 25 1
25 23 26 1
26 23 27 2
27 24 28 1
28 28 29 1
29 28 30 1
30 28 31 2
31 21 22 1
32 2 32 2
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