KEGG   COMPOUND: C00257Help
Entry
C00257                      Compound                               

Name
D-Gluconic acid;
D-Gluconate;
D-gluco-Hexonic acid
Formula
C6H12O7
Exact mass
196.0583
Mol weight
196.1553
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00030  Pentose phosphate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01130  Biosynthesis of antibiotics
map01200  Carbon metabolism
Module
M00308  Semi-phosphorylative Entner-Doudoroff pathway, gluconate => glycerate-3P
M00309  Non-phosphorylative Entner-Doudoroff pathway, gluconate/galactonate => glycerate
M00633  Semi-phosphorylative Entner-Doudoroff pathway, gluconate/galactonate => glycerate-3P
Enzyme
1.1.1.69        1.1.1.215       1.1.99.3        2.4.1.321       
2.7.1.12        3.1.1.17        4.2.1.39        4.2.1.140
Brite
Compounds with biological roles [BR:br08001]
 Carbohydrates
  Monosaccharides
   Sugar acids
    C00257  D-Gluconic acid
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Calcium gluconate
    C00257  D-Gluconic acid
Pharmaceutical additives in Japan [BR:br08316]
 pH regulator
  C00257  [102517] Gluconic acid
BRITE hierarchy
Other DBs
CAS: 526-95-4
PubChem: 3556
ChEBI: 18391 33198
ChEMBL: CHEMBL464345
KNApSAcK: C00007303 C00034850
PDB-CCD: GCO[PDBj]
3DMET: B04655
NIKKAJI: J3.286G
KCF data Show

ATOM        13
            1   O1a O    21.6419  -20.9484
            2   C1b C    22.8553  -20.2478
            3   C1c C    24.0688  -20.9484
            4   C1c C    25.2823  -20.2478
            5   C1c C    26.4957  -20.9484
            6   C1c C    27.7092  -20.2478
            7   C6a C    28.9227  -20.9484
            8   O6a O    30.1361  -20.2478
            9   O1a O    24.0688  -22.3494
            10  O1a O    25.2823  -18.8466
            11  O1a O    27.7092  -18.8469
            12  O1a O    26.4957  -22.3495
            13  O6a O    28.9225  -22.3299
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     3   9 1 #Down
            9     4  10 1 #Up
            10    6  11 1 #Up
            11    5  12 1 #Up
            12    7  13 2

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