KEGG   COMPOUND: C22947
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
Reaction
R13357 R13358 R13414 R13415
Pathway
map00332  Carbapenem biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.394
Other DBs
PubChem: 500141078
LinkDB
KCF data

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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