KEGG   COMPOUND: C01243Help
Entry
C01243                      Compound                               

Name
1D-myo-Inositol 1,3,4-trisphosphate;
D-myo-Inositol 1,3,4-trisphosphate;
Inositol 1,3,4-trisphosphate
Formula
C6H15O15P3
Exact mass
419.9624
Mol weight
420.0956
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00562  Inositol phosphate metabolism
map01100  Metabolic pathways
map04070  Phosphatidylinositol signaling system
Module
M00131  Inositol phosphate metabolism, Ins(1,3,4,5)P4 => Ins(1,3,4)P3 => myo-inositol
M00132  Inositol phosphate metabolism, Ins(1,3,4)P3 => phytate
Enzyme
2.7.1.159       3.1.3.56        3.1.3.57        3.1.3.66
Other DBs
PubChem: 4464
ChEBI: 18228
ChEMBL: CHEMBL1160776 CHEMBL329137
PDB-CCD: I3S[PDBj]
3DMET: B01421
NIKKAJI: J386.725K
KCF data Show

ATOM        24
            1   P1b P    22.1071  -18.9903
            2   O2b O    22.1137  -17.6025
            3   O1c O    20.7065  -18.9839
            4   O1c O    23.5015  -18.9903
            5   O1c O    22.1071  -20.3909
            6   C1y C    22.1200  -16.2018
            7   C1y C    23.3472  -15.4886
            8   C1y C    20.9120  -15.4886
            9   C1y C    23.3472  -14.0751
            10  O2b O    24.5551  -16.1825
            11  C1y C    20.9120  -14.0751
            12  O1a O    19.6977  -16.1825
            13  C1y C    22.1200  -13.3747
            14  O1a O    24.5551  -13.2347
            15  P1b P    25.9495  -16.1825
            16  O2b O    19.6977  -13.3747
            17  O1a O    22.1137  -11.9805
            18  O1c O    27.3436  -16.1825
            19  O1c O    25.9429  -14.7818
            20  O1c O    25.9429  -17.5768
            21  P1b P    18.3034  -13.3683
            22  O1c O    16.9028  -13.3683
            23  O1c O    18.3034  -11.9740
            24  O1c O    18.2971  -14.7690
BOND        24
            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 #Down
            10    8  11 1
            11    8  12 1 #Up
            12    9  13 1
            13    9  14 1 #Up
            14   10  15 1
            15   11  16 1 #Up
            16   13  17 1 #Down
            17   15  18 1
            18   15  19 1
            19   15  20 2
            20   16  21 1
            21   21  22 1
            22   21  23 1
            23   21  24 2
            24   11  13 1

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