COMPOUND: C17139
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Entry
C17139 Compound
Name
dTDP-3,4-dioxo-2,6-dideoxy-L-glucose
Formula
C16H22N2O14P2
Exact mass
528.0546
Mol weight
528.2984
Structure
Mol file
KCF file
DB search
Reaction
R08591
Other DBs
PubChem:
96023592
ChEBI:
80943
NIKKAJI:
J2.777.831C
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KCF data
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ATOM 34
1 C1y C 32.6200 -20.7900
2 N4y N 33.9500 -20.3700
3 O2x O 31.5000 -20.0200
4 C1x C 32.2000 -22.1200
5 C8y C 35.0000 -21.2100
6 C8x C 34.2300 -18.9700
7 C1y C 30.3800 -20.7900
8 C1y C 30.8000 -22.1200
9 N4x N 36.4000 -20.8600
10 O5x O 34.7200 -22.6100
11 C8y C 35.6300 -18.5500
12 C1b C 29.0500 -20.3700
13 O1a O 29.9600 -23.2400
14 C8y C 36.6800 -19.4600
15 C1a C 35.8400 -17.1500
16 O2b O 28.0000 -21.2800
17 O5x O 38.0100 -19.0400
18 P1b P 26.6000 -21.2800
19 O2c O 25.2000 -21.2800
20 O1c O 26.6000 -22.6800
21 O1c O 26.6000 -19.9500
22 P1b P 23.8000 -21.2800
23 O2b O 22.4000 -21.2800
24 O1c O 23.8000 -22.6800
25 O1c O 23.8000 -19.9500
26 C1y C 21.2100 -21.9100
27 C1x C 21.2100 -23.3100
28 O2x O 20.0900 -21.2800
29 C5x C 20.0900 -24.0100
30 C1y C 18.9000 -21.9100
31 C5x C 18.9000 -23.3100
32 O5x O 20.0900 -25.4100
33 C1a C 17.7100 -21.2100
34 O5x O 17.6400 -24.0100
BOND 36
1 1 3 1
2 1 4 1
3 2 5 1
4 2 6 1
5 3 7 1
6 4 8 1
7 5 9 1
8 5 10 2
9 6 11 2
10 7 12 1 #Up
11 8 13 1 #Down
12 9 14 1
13 11 15 1
14 12 16 1
15 14 17 2
16 16 18 1
17 18 19 1
18 18 20 1
19 18 21 2
20 19 22 1
21 22 23 1
22 22 24 1
23 22 25 2
24 26 23 1 #Down
25 26 27 1
26 26 28 1
27 27 29 1
28 28 30 1
29 29 31 1
30 29 32 2
31 30 33 1 #Down
32 31 34 2
33 7 8 1
34 11 14 1
35 30 31 1
36 1 2 1 #Up
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