KEGG   COMPOUND: C23066
Entry
C23066                      Compound                               
Name
6-Desethyl-OA-6129 A;
(5S)-3-[({2-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanamido]propanamido}ethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]oct-2-ene-2-carboxylate
Formula
C18H27N3O7S
Exact mass
429.1570
Mol weight
429.49
Structure
Reaction
R13538
Pathway
map00332  Carbapenem biosynthesis
Enzyme
4.4.1.44
Other DBs
PubChem: 513131717
LinkDB
KCF data

ATOM        29
            1   N1y N    11.4566  -15.9973
            2   C1y C    11.4566  -14.6026
            3   C2y C    12.7870  -16.4232
            4   C5x C    10.0504  -16.0089
            5   C1x C    10.0504  -14.6026
            6   C1x C    12.7811  -14.1766
            7   C2y C    13.6040  -15.2970
            8   C6a C    13.2245  -17.7535
            9   O5x O     9.0466  -16.9951
            10  S2a S    15.0042  -15.2970
            11  O6a O    14.5900  -18.0396
            12  O6a O    12.2910  -18.7922
            13  C1b C    16.2063  -14.5968
            14  C1b C    17.4142  -15.2853
            15  N1b N    18.6220  -14.5911
            16  C5a C    19.8194  -15.2858
            17  C1b C    21.0426  -14.5828
            18  O5a O    19.8158  -16.7132
            19  C1b C    22.2796  -15.2588
            20  N1b N    23.4920  -14.5589
            21  C5a C    24.7043  -15.2588
            22  C1c C    25.9167  -14.5589
            23  C1d C    27.1291  -15.2588
            24  C1b C    28.3414  -14.5589
            25  O1a O    29.5537  -15.2588
            26  O5a O    24.7043  -16.6587
            27  O1a O    25.9167  -13.1590
            28  C1a C    26.4292  -16.4712
            29  C1a C    27.8291  -16.4712
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     7  10 1
            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

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