KEGG   COMPOUND: C11555Help
Entry
C11555                      Compound                               

Name
1D-myo-Inositol 1,4,5,6-tetrakisphosphate;
D-myo-Inositol 1,4,5,6-tetrakisphosphate;
Inositol 1,4,5,6-tetrakisphosphate
Formula
C6H16O18P4
Exact mass
499.9287
Mol weight
500.0755
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00562  Inositol phosphate metabolism
map01100  Metabolic pathways
map04070  Phosphatidylinositol signaling system
Enzyme
Other DBs
CAS: 121010-58-0
PubChem: 13722
ChEBI: 16067
ChEMBL: CHEMBL282059
PDB-CCD: I0P[PDBj]
3DMET: B04274
NIKKAJI: J281.781K
KCF data Show

ATOM        28
            1   P1b P    25.0740  -15.8930
            2   O2b O    25.0682  -17.2818
            3   O1c O    23.6840  -15.8988
            4   O1c O    25.0682  -14.4959
            5   O1c O    26.4711  -15.8930
            6   O1a O    25.0682  -22.8543
            7   P1b P    27.7183  -17.2670
            8   O2b O    27.7125  -18.6556
            9   O1c O    26.3283  -17.2728
            10  O1c O    27.7125  -15.8699
            11  O1c O    29.1154  -17.2670
            12  C1y C    26.2847  -19.3590
            13  C1y C    26.2847  -20.7594
            14  C1y C    25.0682  -18.6705
            15  C1y C    25.0682  -21.4655
            16  O2b O    27.4897  -21.4538
            17  C1y C    23.8761  -19.3590
            18  C1y C    23.8761  -20.7594
            19  P1b P    28.8808  -21.4480
            20  O2b O    22.6630  -18.6563
            21  O1a O    22.6713  -21.4480
            22  O1c O    30.2696  -21.4480
            23  O1c O    28.8808  -20.0591
            24  O1c O    28.8808  -22.8449
            25  P1b P    21.2743  -18.6446
            26  O1c O    19.8772  -18.6446
            27  O1c O    21.2800  -17.2475
            28  O1c O    21.2683  -20.0333
BOND        28
            1     1   4 1
            2     1   5 2
            3     1   2 1
            4     1   3 1
            5     7   8 1
            6     7   9 2
            7     7  10 1
            8     7  11 1
            9    12   8 1 #Up
            10   12  13 1
            11   12  14 1
            12   13  15 1
            13   13  16 1 #Down
            14   14  17 1
            15   14   2 1 #Down
            16   15  18 1
            17   15   6 1 #Up
            18   16  19 1
            19   17  20 1 #Up
            20   18  21 1 #Up
            21   19  22 1
            22   19  23 1
            23   19  24 2
            24   20  25 1
            25   25  26 1
            26   25  27 2
            27   25  28 1
            28   17  18 1

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