COMPOUND: C22947
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Entry
C22947 Compound
Name
(2R,3R,5S,6R)-6-(Methyl)-2-(S-pantetheinyl)-carbapenam-3-carboxylate
Formula
C19H31N3O7S
Exact mass
445.1883
Mol weight
445.53
Structure
Mol file
KCF file
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Reaction
R13357
R13358
R13414
R13415
Enzyme
2.1.1.394
Other DBs
PubChem:
500141078
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KCF data
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ATOM 30
1 N1y N 10.7756 -16.0560
2 C1y C 10.7756 -14.6507
3 C1y C 12.1107 -16.4776
4 C5x C 9.3703 -16.0560
5 C1y C 9.3703 -14.6507
6 C1x C 12.1107 -14.2291
7 C1y C 12.8836 -15.3534
8 C6a C 12.5323 -17.8127
9 O5x O 8.3163 -17.0398
10 S2a S 14.2889 -15.3534
11 O6a O 13.8673 -18.0938
12 O6a O 11.6188 -18.7964
13 C1b C 15.5537 -14.6507
14 C1b C 16.7482 -15.2831
15 N1b N 17.9427 -14.5805
16 C5a C 19.1373 -15.2831
17 C1b C 20.4020 -14.5805
18 O5a O 19.1373 -16.7587
19 C1b C 21.5966 -15.2831
20 N1b N 22.8614 -14.5805
21 C5a C 24.0559 -15.2831
22 C1c C 25.2504 -14.5805
23 C1d C 26.5152 -15.2831
24 C1b C 27.7097 -14.5805
25 O1a O 28.9042 -15.2831
26 O5a O 24.0559 -16.6884
27 O1a O 25.2504 -13.1751
28 C1a C 25.8125 -16.4776
29 C1a C 27.2178 -16.4776
30 C1a C 8.3866 -13.6670
BOND 31
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
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