COMPOUND: C11930
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Entry
C11930 Compound
Name
dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose
Formula
C16H22N2O14P2
Exact mass
528.0546
Mol weight
528.30
Structure
Mol file
KCF file
DB search
Reaction
R06428
R11034
Enzyme
4.2.1.159
Other DBs
CAS:
321847-68-1
PubChem:
14091
ChEBI:
90167
NIKKAJI:
J2.777.830E
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KCF data
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ATOM 34
1 C1y C 31.9912 -20.8267
2 N4y N 33.3299 -20.3858
3 O2x O 30.8908 -20.0203
4 C1x C 31.5710 -22.2036
5 C8y C 34.3882 -21.3264
6 C8x C 33.6288 -19.0088
7 C1y C 29.7451 -20.8601
8 C1y C 30.1646 -22.2036
9 N4x N 35.7358 -20.8815
10 O5x O 34.1110 -22.6994
11 C8y C 34.9595 -18.5592
12 C1b C 28.4055 -20.4279
13 O1a O 29.3335 -23.3334
14 C8y C 36.0258 -19.4999
15 C1a C 35.2321 -17.1822
16 O2b O 27.3646 -21.3638
17 O5x O 37.3606 -19.0590
18 P1b P 25.9624 -21.3638
19 O2c O 24.5600 -21.3638
20 O1c O 25.9535 -22.7662
21 O1c O 25.9535 -19.9662
22 P1b P 23.1536 -21.3638
23 O2b O 21.7513 -21.3638
24 O1c O 23.1450 -22.7662
25 O1c O 23.1450 -19.9662
26 C1y C 20.5588 -22.0527
27 C2x C 20.5460 -23.4336
28 O2x O 19.3710 -21.3599
29 C2y C 19.3455 -24.1223
30 C1y C 18.1656 -22.0359
31 C5x C 18.1577 -23.4216
32 O1a O 19.3328 -25.5248
33 C1a C 16.9818 -21.3471
34 O5x O 16.9358 -24.1058
BOND 36
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 2
11 7 12 1 #Up
12 8 13 1 #Down
13 9 14 1
14 11 15 1
15 12 16 1
16 14 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 22 23 1
23 22 24 1
24 22 25 2
25 26 23 1 #Down
26 26 27 1
27 26 28 1
28 27 29 2
29 28 30 1
30 29 31 1
31 29 32 1
32 30 33 1 #Up
33 31 34 2
34 7 8 1
35 11 14 1
36 30 31 1
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