KEGG   COMPOUND: C03661
Entry
C03661                      Compound                               
Name
1F-beta-D-Fructosylsucrose;
beta-D-Fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside;
1-Kestose
Formula
C18H32O16
Exact mass
504.169
Mol weight
504.4371
Structure
Remark
Same as: G02515
Reaction
Enzyme
Other DBs
CAS: 470-69-9
PubChem: 6439
ChEBI: 16885
KNApSAcK: C00048937
PDB-CCD: DQR[PDBj]
NIKKAJI: J196.187J
LinkDB
KCF data

ATOM        34
            1   C1z C    21.9973  -17.1359
            2   O2x O    20.8347  -16.3072
            3   C1y C    21.5682  -18.4360
            4   C1b C    22.9752  -16.1460
            5   C1y C    19.7086  -17.1124
            6   C1y C    20.1613  -18.4360
            7   O1a O    22.3971  -19.5737
            8   O1a O    22.6122  -14.7990
            9   C1b C    18.3852  -16.6893
            10  O1a O    19.3442  -19.5868
            11  O1a O    17.5316  -17.8152
            12  O2a O    23.8410  -17.9728
            13  C1z C    25.4754  -19.7617
            14  O2a O    24.5045  -20.7634
            15  O2x O    26.5968  -18.9506
            16  C1y C    25.9352  -21.0853
            17  C1b C    24.1401  -19.3384
            18  C1y C    23.2879  -21.4544
            19  C1y C    27.7652  -19.7852
            20  C1y C    27.3362  -21.0853
            21  O1a O    25.1180  -22.2361
            22  O2x O    22.0653  -20.7634
            23  C1y C    23.2879  -22.8495
            24  C1b C    28.7433  -18.7838
            25  O1a O    28.1592  -22.2303
            26  C1y C    20.8545  -21.4544
            27  C1y C    22.0653  -23.5597
            28  O1a O    24.5045  -23.5597
            29  O1a O    30.0244  -19.3679
            30  C1b C    19.6568  -20.7634
            31  C1y C    20.8545  -22.8495
            32  O1a O    22.0653  -24.9550
            33  O1a O    18.5835  -21.6636
            34  O1a O    19.6568  -23.5597
BOND        36
            1     9  11 1
            2     5   6 1
            3     1  12 1 #Up
            4     1   2 1
            5     1   3 1
            6     1   4 1
            7     2   5 1
            8     3   6 1
            9     3   7 1 #Up
            10    4   8 1
            11    5   9 1 #Up
            12    6  10 1 #Down
            13   13  14 1 #Down
            14   13  15 1
            15   13  16 1
            16   13  17 1 #Up
            17   18  14 1 #Down
            18   15  19 1
            19   16  20 1
            20   16  21 1 #Down
            21   17  12 1
            22   18  22 1
            23   18  23 1
            24   19  24 1 #Down
            25   20  25 1 #Up
            26   22  26 1
            27   23  27 1
            28   23  28 1 #Down
            29   24  29 1
            30   26  30 1 #Up
            31   26  31 1
            32   27  32 1 #Up
            33   30  33 1
            34   31  34 1 #Down
            35   19  20 1
            36   27  31 1

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