COMPOUND: C22255
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Entry
C22255 Compound
Name
5,7-Diacetamido-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonic acid;
Di-N-acetyl-8-epilegionaminic acid;
N,N'-Diacetyl-8-epilegionaminate;
8eLeg5Ac7Ac
Formula
C13H22N2O8
Exact mass
334.1376
Mol weight
334.32
Structure
Mol file
KCF file
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Reaction
R12565
R12568
Pathway
map00541
Biosynthesis of various nucleotide sugars
map01100
Metabolic pathways
map01250
Biosynthesis of nucleotide sugars
Module
M01008
CMP-8eLeg5Ac7Ac biosynthesis, UDP-GlcNAc => CMP-8eLeg5Ac7Ac
Enzyme
2.5.1.- 2.7.7.-
Other DBs
PubChem:
433774475
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KCF data
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ATOM 23
1 C1y C 12.8819 -15.7168
2 C1y C 12.8819 -17.1195
3 O2x O 14.0742 -15.0155
4 C1c C 11.6896 -15.0155
5 C1y C 14.0742 -17.8209
6 N1b N 11.6896 -17.8209
7 C1z C 15.3366 -15.7168
8 C1c C 11.6896 -13.2621
9 N1b N 10.4973 -15.7168
10 C1x C 15.3366 -17.1195
11 O1a O 14.0742 -19.1535
12 C5a C 11.6896 -19.1535
13 O1a O 16.6692 -15.9975
14 C1a C 10.4973 -12.5608
15 O1a O 12.8819 -12.5608
16 C1a C 10.4973 -19.8548
17 O5a O 12.8819 -19.8548
18 C5a C 9.3050 -15.0155
19 C1a C 8.1127 -15.7168
20 O5a O 9.3050 -13.6128
21 C6a C 16.3266 -14.7269
22 O6a O 17.6566 -15.0829
23 O6a O 15.9564 -13.3454
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 1 #Down
11 6 12 1
12 7 13 1 #Up
13 8 14 1
14 8 15 1 #Down
15 12 16 1
16 12 17 2
17 7 10 1
18 9 18 1
19 18 19 1
20 18 20 2
21 7 21 1 #Down
22 21 22 1
23 21 23 2
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