KEGG   COMPOUND: C22948
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
Reaction
R13358 R13415 R13555
Pathway
map00332  Carbapenem biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.394
Other DBs
PubChem: 500141079
LinkDB
KCF data

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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