COMPOUND: C21063
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Entry
C21063 Compound
Name
Ketodeoxyoctonic acid;
Ketodeoxyoctulonic acid;
3-Deoxy-D-manno-oct-2-ulopyranosonic acid
Formula
C8H14O8
Exact mass
238.0689
Mol weight
238.19
Structure
Mol file
KCF file
DB search
Comment
Ketodeoxyoctulonic acid is named incorrectly.
Ketodeoxyoctonate (open-chain) [CPD:
C01187
]
Brite
Nucleotide sugars [
br08020.html
]
Monosaccharides vs nucleotides
C21063
BRITE hierarchy
Other DBs
PubChem:
254816288
PDB-CCD:
KD3
[
PDBj
]
KDO
[
PDBj
]
LinkDB
All DBs
KCF data
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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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