KEGG   COMPOUND: C01518Help
Entry
C01518                      Compound                               

Name
Nigerose;
Sakebiose;
3-O-alpha-D-Glucopyranosyl-D-glucose
Formula
C12H22O11
Exact mass
342.1162
Mol weight
342.2965
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
2.4.1.279       2.4.1.334
Brite
Compounds with biological roles [BR:br08001]
 Carbohydrates
  Oligosaccharides
   Disaccharides
    C01518  Nigerose
BRITE hierarchy
Other DBs
CAS: 497-48-3
PubChem: 4683
ChEBI: 7570
PDB-CCD: NGR[PDBj]
NIKKAJI: J92.820H
KCF data Show

ATOM        23
            1   C1y C    24.0590  -14.5038
            2   O2a O    24.0654  -16.0996
            3   C1y C    22.8640  -13.8109
            4   C1y C    25.2733  -13.8109
            5   C1y C    22.4826  -17.0086
            6   C1y C    22.8640  -12.4252
            7   O1a O    21.6752  -14.5038
            8   C1y C    25.2733  -12.4252
            9   O1a O    26.4619  -14.5038
            10  O2x O    21.2684  -16.3221
            11  C1y C    22.4826  -18.3943
            12  O2x O    24.0590  -11.7449
            13  C1b C    21.6752  -11.7449
            14  O1a O    26.3919  -11.7449
            15  C1y C    20.0797  -17.0086
            16  C1y C    21.2684  -19.0808
            17  O1a O    23.6776  -19.0808
            18  O1a O    20.6265  -12.6285
            19  C1y C    20.0797  -18.3943
            20  C1b C    18.8846  -16.3221
            21  O1a O    21.2748  -20.5430
            22  O1a O    18.8846  -19.0808
            23  O1a O    17.8358  -17.2119
BOND        24
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     5   2 1 #Down
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1 #Up
            13    8  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1 #Down
            17   13  18 1
            18   15  19 1
            19   15  20 1 #Up
            20   16  21 1 #Up
            21   19  22 1 #Down
            22   20  23 1
            23    8  12 1
            24   16  19 1

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