COMPOUND: C22350
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Entry
C22350 Compound
Name
Levoglucosan;
1,6-Anhydro-beta-D-glucopyranose
Formula
C6H10O5
Exact mass
162.0528
Mol weight
162.14
Structure
Mol file
KCF file
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Reaction
R12713
R12746
Enzyme
1.1.1.425
2.7.1.232
Other DBs
CAS:
498-07-7
PubChem:
497619710
ChEBI:
30997
PDB-CCD:
4PW
[
PDBj
]
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KCF data
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ATOM 11
1 C1y C 17.9641 -14.3853
2 C1y C 19.1570 -14.9467
3 C1y C 19.4377 -16.2098
4 O2x O 16.4905 -16.2800
5 C1y C 18.5956 -17.2624
6 C1y C 17.2624 -17.2624
7 C1x C 16.7712 -14.9467
8 O2x O 18.1746 -16.0690
9 O1a O 19.9289 -13.6836
10 O1a O 19.0868 -18.6658
11 O1a O 20.7710 -16.7712
BOND 12
1 2 3 1
2 3 5 1
3 1 2 1
4 4 6 1
5 5 6 1
6 4 7 1
7 1 7 1
8 1 8 1 #Up
9 8 6 1 #Up
10 2 9 1 #Up
11 5 10 1 #Up
12 3 11 1 #Down
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