KEGG   COMPOUND: C19891
Entry
C19891                      Compound                               
Name
1D-chiro-Inositol;
1,2,4/3,5,6-Cyclohexane-1,2,3,4,5,6-hexol;
(+)-Inositol
Formula
C6H12O6
Exact mass
180.0634
Mol weight
180.1559
Structure
Reaction
R09951
Pathway
map00562  Inositol phosphate metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.1.1.369
Other DBs
CAS: 643-12-9
PubChem: 135626357
PDB-CCD: CBU[PDBj]
LinkDB
KCF data

ATOM        12
            1   C1y C    24.0800  -18.1300
            2   C1y C    24.0800  -19.5300
            3   C1y C    25.2924  -20.2300
            4   C1y C    26.5049  -19.5300
            5   C1y C    26.5049  -18.1300
            6   C1y C    25.2924  -17.4300
            7   O1a O    25.2924  -16.0302
            8   O1a O    22.8676  -17.4300
            9   O1a O    27.7360  -20.2410
            10  O1a O    27.7360  -17.4190
            11  O1a O    25.2924  -21.6298
            12  O1a O    22.8676  -20.2300
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Down
            8     1   8 1 #Down
            9     4   9 1 #Down
            10    5  10 1 #Up
            11    3  11 1 #Up
            12    2  12 1 #Up

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