COMPOUND: C21137
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Entry
C21137 Compound
Name
dTDP-3-amino-4-oxo-2,3,6-trideoxy-L-allose;
dTDP-3-amino-4-keto-2,3,6-trideoxy-L-allose
Formula
C16H25N3O13P2
Exact mass
529.0863
Mol weight
529.33
Structure
Mol file
KCF file
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Reaction
R11138
R11139
Pathway
map00404
Staurosporine biosynthesis
map01110
Biosynthesis of secondary metabolites
map01250
Biosynthesis of nucleotide sugars
Other DBs
PubChem:
313046617
ChEBI:
192478
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KCF data
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ATOM 34
1 C1y C 23.4652 -15.6665
2 N4y N 24.7881 -15.2488
3 O2x O 22.3511 -14.9006
4 C1x C 23.0474 -17.0591
5 C8y C 25.8325 -16.1539
6 C8x C 25.0666 -13.8562
7 C1y C 21.2371 -15.6665
8 C1y C 21.6548 -17.0591
9 N4x N 27.2250 -15.8058
10 O5x O 25.5540 -17.5465
11 C8y C 26.4591 -13.4384
12 C1b C 19.8445 -15.2488
13 O1a O 20.8193 -18.1731
14 C8y C 27.5035 -14.3436
15 C1a C 26.6680 -12.0459
16 O2b O 18.8001 -16.2235
17 O5x O 28.8961 -13.9258
18 P1b P 17.4076 -16.2235
19 O2c O 16.0150 -16.2235
20 O1c O 17.4076 -17.6161
21 O1c O 17.4076 -14.8310
22 P1b P 14.6225 -16.2235
23 O2b O 13.2299 -16.2235
24 O1c O 14.6225 -17.6161
25 O1c O 14.6225 -14.8310
26 C1y C 12.0463 -16.8502
27 C1x C 12.0463 -18.2427
28 O2x O 10.8626 -16.2235
29 C1y C 10.8626 -18.9390
30 C1y C 9.6789 -16.8502
31 C5x C 9.6789 -18.2427
32 C1a C 8.4953 -16.1539
33 O5x O 8.4257 -18.9390
34 N1a N 10.8626 -20.3316
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 30 32 1 #Down
31 31 33 2
32 7 8 1
33 11 14 1
34 30 31 1
35 1 2 1 #Up
36 29 34 1 #Up
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