KEGG   COMPOUND: C21063
Entry
C21063                      Compound                               
Name
Ketodeoxyoctonic acid;
Ketodeoxyoctulonic acid;
3-Deoxy-D-manno-oct-2-ulopyranosonic acid
Formula
C8H14O8
Exact mass
238.0689
Mol weight
238.192
Structure
Comment
Ketodeoxyoctulonic acid is named incorrectly.
Ketodeoxyoctonate (open-chain) [CPD:C01187]
Other DBs
PubChem: 254816288
PDB-CCD: KD3[PDBj] KDO[PDBj]
LinkDB
KCF data

ATOM        16
            1   C1z C    15.2704  -16.1053
            2   O2x O    14.1314  -15.4458
            3   C1x C    15.2704  -17.4158
            4   C6a C    16.3961  -15.4458
            5   C1y C    12.9943  -16.1053
            6   C1y C    14.1314  -18.0924
            7   O6a O    16.3672  -14.1410
            8   O6a O    17.5222  -16.1053
            9   C1y C    12.9943  -17.4158
            10  O1a O    14.1373  -19.3916
            11  C1c C    11.7992  -15.3946
            12  C1b C    11.8041  -14.0220
            13  O1a O    10.6177  -13.3316
            14  O1a O    11.5891  -18.3734
            15  O1a O    10.6007  -16.0735
            16  O1a O    16.8250  -17.3556
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 1 #Up
            10    6   9 1
            11    5  11 1 #Up
            12   11  12 1
            13   12  13 1
            14    9  14 1 #Up
            15   11  15 1 #Down
            16    1  16 1 #Either

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