COMPOUND: C01093
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Entry
C01093 Compound
Name
Cellobiono-1,5-lactone;
Cellobiose-1,5-lactone;
Cellobionolactone
Formula
C12H20O11
Exact mass
340.1006
Mol weight
340.2806
Structure
Mol file
KCF file
DB search
Remark
Same as:
G10590
Reaction
R01442
R01443
R02365
Enzyme
1.1.99.18
Other DBs
CAS:
52762-22-8
PubChem:
4328
ChEBI:
17863
NIKKAJI:
J961.197E
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KCF data
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ATOM 23
1 C1y C 24.4199 -14.7328
2 C1y C 24.4199 -13.3952
3 O2a O 22.8417 -16.0028
4 C1y C 25.5850 -15.4048
5 O7x O 25.5850 -12.7231
6 C1b C 23.2732 -12.7231
7 C1y C 20.7950 -16.3417
8 C1y C 26.7563 -14.7328
9 O1a O 25.5850 -16.8126
10 C7x C 26.7563 -13.3952
11 O1a O 22.2499 -13.5863
12 O2x O 19.6237 -15.6699
13 C1y C 20.7950 -17.6795
14 O1a O 27.9151 -15.4048
15 O6a O 27.8451 -12.7931
16 C1y C 18.4647 -16.3417
17 C1y C 19.6237 -18.3576
18 O1a O 21.9601 -18.3576
19 C1y C 18.4647 -17.6795
20 C1b C 17.3182 -15.6760
21 O1a O 19.6237 -19.7654
22 O1a O 17.3182 -18.3576
23 O1a O 16.2886 -16.5391
BOND 24
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 7 3 1 #Up
7 4 8 1
8 4 9 1 #Up
9 5 10 1
10 6 11 1
11 7 12 1
12 7 13 1
13 8 14 1 #Down
14 10 15 2
15 12 16 1
16 13 17 1
17 13 18 1 #Down
18 16 19 1
19 16 20 1 #Up
20 17 21 1 #Up
21 19 22 1 #Down
22 20 23 1
23 8 10 1
24 17 19 1
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