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 searchJmolKegDraw
Reaction
Pathway
Inositol phosphate metabolism
Phosphatidylinositol signaling system
Enzyme
3.1.3.64        3.1.3.66
Other DBs
CAS: 
103597-56-4
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
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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