COMPOUND: C22948
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Entry
C22948 Compound
Name
(2R,3R,5S,6R)-6-(Ethyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
Formula
C20H33N3O7S
Exact mass
459.2039
Mol weight
459.56
Structure
Mol file
KCF file
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Reaction
R13358
R13415
Enzyme
2.1.1.394
Other DBs
PubChem:
500141079
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KCF data
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ATOM 31
1 N1y N 11.4130 -16.0590
2 C1y C 11.4130 -14.6530
3 C1y C 12.7486 -16.4807
4 C5x C 10.0071 -16.0590
5 C1y C 10.0071 -14.6530
6 C1x C 12.7486 -14.2313
7 C1y C 13.5218 -15.3560
8 C6a C 13.1704 -17.8163
9 O5x O 8.9526 -17.0431
10 S2a S 14.9277 -15.3560
11 O6a O 14.5060 -18.0975
12 O6a O 12.2565 -18.8005
13 C1b C 16.1931 -14.6530
14 C1b C 17.3881 -15.2857
15 N1b N 18.5831 -14.5827
16 C5a C 19.7781 -15.2857
17 C1b C 21.0434 -14.5827
18 O5a O 19.7781 -16.7619
19 C1b C 22.2385 -15.2857
20 N1b N 23.5038 -14.5827
21 C5a C 24.6988 -15.2857
22 C1c C 25.8938 -14.5827
23 C1d C 27.1591 -15.2857
24 C1b C 28.3542 -14.5827
25 O1a O 29.5492 -15.2857
26 O5a O 24.6988 -16.6916
27 O1a O 25.8938 -13.1768
28 C1a C 26.4562 -16.4807
29 C1a C 27.8621 -16.4807
30 C1b C 9.0229 -13.6689
31 C1a C 7.6873 -14.0204
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 2
9 7 10 1 #Up
10 8 11 1
11 8 12 2
12 10 13 1
13 13 14 1
14 14 15 1
15 4 5 1
16 6 7 1
17 15 16 1
18 16 17 1
19 16 18 2
20 17 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 21 26 2
28 22 27 1 #Down
29 23 28 1
30 23 29 1
31 5 30 1 #Down
32 30 31 1
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