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
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
KNApSAcK: C00007484
3DMET: B01411
NIKKAJI: J281.780B
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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