KEGG   COMPOUND: C01220
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
339.996
Mol weight
340.1157
Structure
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
3DMET: B01411
NIKKAJI: J281.780B
LinkDB
KCF data

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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