KEGG   COMPOUND: C04287
Entry
C04287                      Compound                               
Name
3D-3,5/4-Trihydroxycyclohexane-1,2-dione;
D-2,3-Diketo-4-deoxy-epi-inositol;
(3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione;
3,5/4-Trihydroxycyclohexa-1,2-dione
Formula
C6H8O5
Exact mass
160.0372
Mol weight
160.12
Structure
Reaction
R02782 R08603
Pathway
map00562  Inositol phosphate metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
3.7.1.22        4.2.1.44
Other DBs
CAS: 949461-91-0
PubChem: 6949
ChEBI: 16145 28446
NIKKAJI: J2.749.622I
LinkDB
KCF data

ATOM        11
            1   C1y C    25.9700  -22.0500
            2   C1y C    27.1600  -22.7500
            3   C5x C    25.9700  -20.6500
            4   O1a O    24.7100  -22.7500
            5   C1y C    28.3500  -22.0500
            6   O1a O    27.1600  -24.1500
            7   C5x C    27.1600  -19.9500
            8   O5x O    24.7100  -19.9500
            9   C1x C    28.3500  -20.6500
            10  O1a O    29.6100  -22.7500
            11  O5x O    27.1600  -18.5500
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 2
            8     5   9 1
            9     5  10 1 #Up
            10    7  11 2
            11    7   9 1

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