COMPOUND: C04579
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Entry
C04579 Compound
Name
Inositol 1,2,3,5,6-pentakisphosphate;
myo-Inositol 1,2,3,5,6-pentakisphosphate;
1D-myo-Inositol 1,2,3,5,6-pentakisphosphate;
1L-myo-Inositol 1,2,3,4,5-pentakisphosphate
Formula
C6H17O21P5
Exact mass
579.8950
Mol weight
580.06
Structure
Mol file
KCF file
DB search
Reaction
R03372
Pathway
map00562
Inositol phosphate metabolism
map01100
Metabolic pathways
Enzyme
3.1.3.26
Other DBs
PubChem:
7180
ChEBI:
18345
191030
48405
NIKKAJI:
J885.458K
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KCF data
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ATOM 32
1 O1c O 23.0140 -18.5679
2 P1b P 24.4054 -18.5679
3 O1c O 25.7967 -18.5679
4 O2b O 24.4054 -19.9592
5 O1c O 24.4054 -17.1765
6 P1b P 27.1872 -25.4552
7 O2b O 27.1872 -24.2029
8 O1c O 25.7958 -25.4552
9 O1c O 27.1872 -26.8466
10 O1c O 28.4394 -25.4552
11 O2b O 27.1872 -18.6374
12 O1a O 29.9687 -22.8116
13 C1y C 28.3002 -22.1159
14 C1y C 28.3002 -20.7246
15 C1y C 27.1872 -22.8116
16 C1y C 27.1872 -20.0287
17 O2b O 29.4830 -20.0287
18 C1y C 26.0045 -22.1159
19 C1y C 26.0045 -20.7246
20 P1b P 30.8743 -20.0287
21 O2b O 24.7522 -22.8116
22 O1c O 32.2658 -20.0287
23 O1c O 30.8743 -21.4203
24 O1c O 30.8743 -18.6374
25 P1b P 23.4304 -22.8116
26 O1c O 22.0391 -22.8116
27 O1c O 23.4304 -24.2029
28 O1c O 23.4301 -21.4203
29 P1b P 27.1872 -17.2461
30 O1c O 27.1872 -15.8546
31 O1c O 28.5785 -17.2461
32 O1c O 25.7958 -17.2461
BOND 32
1 2 5 1
2 6 7 1
3 6 8 1
4 6 9 1
5 6 10 2
6 1 2 1
7 2 3 2
8 2 4 1
9 13 12 1 #Down
10 13 14 1
11 13 15 1
12 14 16 1
13 14 17 1 #Up
14 15 18 1
15 15 7 1 #Up
16 16 19 1
17 16 11 1 #Down
18 17 20 1
19 18 21 1 #Up
20 19 4 1 #Up
21 20 22 1
22 20 23 1
23 20 24 2
24 21 25 1
25 25 26 1
26 25 27 1
27 25 28 2
28 18 19 1
29 11 29 1
30 29 30 1
31 29 31 1
32 29 32 2
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