KEGG   COMPOUND: C04062Help
Entry
C04062                      Compound                               

Name
D-myo-Inositol 1,3-bisphosphate;
1D-myo-Inositol 1,3-bisphosphate;
myo-Inositol 1,3-bisphosphate;
Inositol 1,3-bisphosphate
Formula
C6H14O12P2
Exact mass
339.996
Mol weight
340.1157
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00562  Inositol phosphate metabolism
map01100  Metabolic pathways
map04070  Phosphatidylinositol signaling system
Enzyme
3.1.3.64        3.1.3.66
Other DBs
CAS: 103597-56-4
PubChem: 6759
ChEBI: 18225
PDB-CCD: ITP[PDBj]
3DMET: B01713
NIKKAJI: J447.870C
KCF data Show

ATOM        20
            1   P1b P    19.3809  -20.0098
            2   O2b O    19.3681  -18.6229
            3   O1c O    20.7869  -20.0098
            4   O1c O    17.9940  -20.0033
            5   O1c O    19.3809  -21.4030
            6   C1y C    19.3744  -17.2360
            7   C1y C    18.1665  -16.5267
            8   C1y C    20.5952  -16.5267
            9   C1y C    18.1665  -15.1207
            10  O1a O    16.9650  -17.2169
            11  C1y C    20.5952  -15.1207
            12  O1a O    21.7903  -17.2169
            13  C1y C    19.3744  -14.4241
            14  O2b O    16.9650  -14.4368
            15  O1a O    21.8926  -14.3538
            16  O1a O    19.3681  -13.0372
            17  P1b P    15.5590  -14.4368
            18  O1c O    14.1721  -14.4304
            19  O1c O    15.5462  -13.0436
            20  O1c O    15.5527  -15.8237
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 #Up
            10    8  11 1
            11    8  12 1 #Down
            12    9  13 1
            13    9  14 1 #Up
            14   11  15 1 #Up
            15   13  16 1 #Down
            16   14  17 1
            17   17  18 1
            18   17  19 1
            19   17  20 2
            20   11  13 1

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