COMPOUND: C01220
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Entry
C01220 Compound
Name
1D-myo-Inositol 1,4-bisphosphate;
D-myo-Inositol 1,4-bisphosphate;
myo-Inositol 1,4-bisphosphate;
Inositol 1,4-bisphosphate
Formula
C6H14O12P2
Exact mass
339.9961
Mol weight
340.12
Structure
Mol file
KCF file
DB search
Reaction
R03393
R03394
R10952
Pathway
map00562
Inositol phosphate metabolism
map01100
Metabolic pathways
map04070
Phosphatidylinositol signaling system
Enzyme
3.1.3.56
3.1.3.57
3.1.4.11
Other DBs
CAS:
74465-19-3
PubChem:
4442
ChEBI:
17816
191032
KNApSAcK:
C00007484
NIKKAJI:
J281.780B
LinkDB
All DBs
KCF data
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ATOM 20
1 P1b P 18.2994 -14.7637
2 O2b O 19.6992 -14.7637
3 O1c O 16.9059 -14.7637
4 O1c O 18.2994 -13.3702
5 O1c O 18.2994 -16.1637
6 C1y C 20.9064 -15.4637
7 C1y C 22.1137 -14.7637
8 C1y C 20.9064 -16.8763
9 C1y C 23.3401 -15.4637
10 O1a O 22.1137 -13.4402
11 C1y C 22.1137 -17.5892
12 O1a O 19.6927 -17.5698
13 C1y C 23.3401 -16.8763
14 O1a O 24.5473 -14.7637
15 O1a O 22.1137 -18.9889
16 O2b O 24.5537 -17.5698
17 P1b P 25.9406 -17.5698
18 O1c O 27.3404 -17.5698
19 O1c O 25.9406 -16.1700
20 O1c O 25.9406 -18.9633
BOND 20
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 11 15 1 #Up
15 13 16 1 #Down
16 16 17 1
17 17 18 1
18 17 19 1
19 17 20 2
20 11 13 1
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