COMPOUND: C17087
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Entry
C17087 Compound
Name
dTDP-(3R)-amino-3,6-dideoxy-D-glucose;
dTDP-3-amino-3,6-dideoxy-D-allose
Formula
C16H27N3O14P2
Exact mass
547.0968
Mol weight
547.3448
Structure
Mol file
KCF file
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Other DBs
PubChem:
96023562
ChEBI:
80917
NIKKAJI:
J2.805.631A
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KCF data
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ATOM 35
1 C1y C 18.1211 -22.0360
2 C1y C 18.1211 -23.4350
3 C1y C 19.3102 -24.1346
4 C1y C 20.5694 -23.4350
5 C1y C 20.5694 -22.0360
6 O2x O 19.3102 -21.3365
7 C1a C 16.9319 -21.3365
8 O1a O 16.9319 -24.1346
9 N1a N 19.3102 -25.5336
10 O1a O 21.7585 -24.1346
11 O2b O 21.7585 -21.3365
12 P1b P 23.1575 -21.3365
13 O2c O 24.5566 -21.3365
14 P1b P 25.9556 -21.3365
15 O2b O 27.3546 -21.3365
16 O1c O 25.9556 -22.7355
17 O1c O 25.9556 -19.9375
18 C1y C 31.9714 -20.7769
19 N4y N 33.3004 -20.2873
20 O2x O 30.9221 -19.9375
21 C1x C 31.5517 -22.1060
22 C8y C 34.3497 -21.2666
23 C8x C 33.6502 -18.9582
24 C1y C 29.7329 -20.7769
25 C1y C 30.1526 -22.1060
26 N4x N 35.7487 -20.7769
27 O5x O 34.0699 -22.5956
28 C8y C 34.9793 -18.4685
29 C1b C 28.4039 -20.3572
30 O1a O 29.3132 -23.2252
31 C8y C 36.0285 -19.4478
32 C1a C 35.1891 -17.1395
33 O5x O 37.3576 -18.9582
34 O1c O 23.1575 -22.7355
35 O1c O 23.1575 -19.9375
BOND 37
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Up
8 2 8 1 #Down
9 3 9 1 #Down
10 4 10 1 #Down
11 5 11 1 #Down
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 14 16 1
17 14 17 2
18 18 19 1 #Up
19 18 20 1
20 18 21 1
21 19 22 1
22 19 23 1
23 20 24 1
24 21 25 1
25 22 26 1
26 22 27 2
27 23 28 2
28 24 29 1 #Up
29 25 30 1 #Down
30 26 31 1
31 28 32 1
32 31 33 2
33 24 25 1
34 28 31 1
35 29 15 1
36 12 34 1
37 12 35 2
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