KEGG   COMPOUND: C01272
Entry
C01272                      Compound                               
Name
1D-myo-Inositol 1,3,4,5-tetrakisphosphate;
D-myo-Inositol 1,3,4,5-tetrakisphosphate;
Inositol 1,3,4,5-tetrakisphosphate
Formula
C6H16O18P4
Exact mass
499.9287
Mol weight
500.0755
Structure
Reaction
Pathway
map00562  Inositol phosphate metabolism
map01100  Metabolic pathways
map04070  Phosphatidylinositol signaling system
Module
M00130  Inositol phosphate metabolism, PI=> PIP2 => Ins(1,4,5)P3 => Ins(1,3,4,5)P4
M00131  Inositol phosphate metabolism, Ins(1,3,4,5)P4 => Ins(1,3,4)P3 => myo-inositol
Enzyme
2.7.1.127       2.7.1.151       2.7.1.159       3.1.3.56        
3.1.3.62
Other DBs
PubChem: 4491
ChEBI: 166489 16783
PDB-CCD: 4IP[PDBj]
3DMET: B01430
NIKKAJI: J292.127H
KCF data

ATOM        28
            1   P1b P    25.7920  -17.0616
            2   O2b O    24.4444  -17.0616
            3   O1c O    27.1521  -17.0616
            4   O1c O    25.7920  -15.7015
            5   O1c O    25.7920  -18.4156
            6   C1y C    23.3352  -16.3878
            7   C1y C    23.3352  -15.0152
            8   C1y C    22.1497  -17.0804
            9   C1y C    22.1497  -14.3350
            10  O2b O    25.6513  -13.6246
            11  C1y C    20.9705  -16.3878
            12  O2b O    22.1433  -18.5105
            13  C1y C    20.9705  -15.0152
            14  O1a O    22.0733  -13.1911
            15  P1b P    25.5875  -12.2706
            16  O1a O    19.7911  -17.0616
            17  P1b P    22.1497  -19.8645
            18  O2b O    19.7975  -14.4050
            19  O1c O    24.3035  -12.2768
            20  O1c O    25.6513  -10.8405
            21  O1c O    26.9415  -12.2706
            22  O1c O    20.7957  -19.8706
            23  O1c O    23.4336  -19.8645
            24  O1c O    22.1433  -21.2246
            25  P1b P    18.4374  -14.3989
            26  O1c O    17.0834  -14.3989
            27  O1c O    18.4435  -13.0449
            28  O1c O    18.4374  -15.7590
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 2
            5     6   2 1 #Down
            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 #Up
            12    9  13 1
            13    9  14 1 #Down
            14   10  15 1
            15   11  16 1 #Up
            16   12  17 1
            17   13  18 1 #Up
            18   15  19 1
            19   15  20 1
            20   15  21 2
            21   17  22 1
            22   17  23 1
            23   17  24 2
            24   18  25 1
            25   25  26 1
            26   25  27 1
            27   25  28 2
            28   11  13 1

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