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
500.08
Structure
Reaction
R03428 R03430 R03433 R03434 R10953
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]
NIKKAJI: J292.127H
LinkDB
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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