KEGG   COMPOUND: C01204Help
Entry
C01204                      Compound                               

Name
Phytic acid;
Phytate;
myo-Inositol hexakisphosphate;
1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate;
D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate;
myo-Inositol 1,2,3,4,5,6-hexakisphosphate;
Inositol 1,2,3,4,5,6-hexakisphosphate;
1D-myo-Inositol hexakisphosphate
Formula
C6H18O24P6
Exact mass
659.8614
Mol weight
660.0353
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Inositol phosphate metabolism
Metabolic pathways
Phosphatidylinositol signaling system
Module
M00132  
Inositol phosphate metabolism, Ins(1,3,4)P3 => phytate
Enzyme
2.7.1.158       2.7.4.21        2.7.4.24        3.1.3.8         
3.1.3.26        3.1.3.62        3.1.3.72        3.6.1.52
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Phytin
    C01204  Phytic acid
Pharmaceutical additives [BR:br08316]
 Diluting agent
  C01204  [502121] Phytic acid
BRITE hierarchy
Other DBs
CAS: 
83-86-3
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        36
            1   O1c O    20.3757  -16.3679
            2   P1b P    21.7821  -16.3679
            3   O1c O    23.1885  -16.3679
            4   O2b O    21.7821  -17.7743
            5   O1c O    21.7821  -14.9615
            6   P1b P    24.5940  -23.3297
            7   O2b O    24.5940  -22.0639
            8   O1c O    23.1876  -23.3297
            9   O1c O    24.5940  -24.7362
            10  O1c O    25.8598  -23.3297
            11  O2b O    24.5940  -16.4382
            12  P1b P    27.4056  -22.0639
            13  O2b O    27.4056  -20.6575
            14  O1c O    25.9991  -22.0639
            15  O1c O    27.4056  -23.4000
            16  O1c O    28.8120  -22.0639
            17  C1y C    25.7191  -19.9543
            18  C1y C    25.7191  -18.5479
            19  C1y C    24.5940  -20.6575
            20  C1y C    24.5940  -17.8446
            21  O2b O    26.9146  -17.8446
            22  C1y C    23.3985  -19.9543
            23  C1y C    23.3985  -18.5479
            24  P1b P    28.3210  -17.8446
            25  O2b O    22.1327  -20.6575
            26  O1c O    29.7275  -17.8446
            27  O1c O    28.3210  -19.2511
            28  O1c O    28.3210  -16.4382
            29  P1b P    20.7966  -20.6575
            30  O1c O    19.3902  -20.6575
            31  O1c O    20.7966  -22.0639
            32  O1c O    20.7963  -19.2511
            33  P1b P    24.5940  -15.0318
            34  O1c O    24.5940  -13.6253
            35  O1c O    26.0004  -15.0318
            36  O1c O    23.1876  -15.0318
BOND        36
            1     2   5 1
            2     6   7 1
            3     6   8 1
            4     6   9 1
            5     6  10 2
            6     1   2 1
            7     2   3 2
            8     2   4 1
            9    12  13 1
            10   12  14 2
            11   12  15 1
            12   12  16 1
            13   17  13 1 #Down
            14   17  18 1
            15   17  19 1
            16   18  20 1
            17   18  21 1 #Up
            18   19  22 1
            19   19   7 1 #Up
            20   20  23 1
            21   20  11 1 #Down
            22   21  24 1
            23   22  25 1 #Up
            24   23   4 1 #Up
            25   24  26 1
            26   24  27 1
            27   24  28 2
            28   25  29 1
            29   29  30 1
            30   29  31 1
            31   29  32 2
            32   22  23 1
            33   11  33 1
            34   33  34 1
            35   33  35 1
            36   33  36 2

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