KEGG   COMPOUND: C20813Help
Entry
C20813                      Compound                               

Name
OA-6129 A
Formula
C20H31N3O7S
Exact mass
457.1883
Mol weight
457.541
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00332  Carbapenem biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
1.14.20.-
Other DBs
CAS: 82475-11-4
PubChem: 254741279
ChEBI: 144403
KCF data Show

ATOM        31
            1   N1y N    11.5250  -16.5550
            2   C1y C    11.5250  -15.1605
            3   C2y C    12.8552  -16.9808
            4   C5x C    10.1190  -16.5666
            5   C1y C    10.1190  -15.1605
            6   C1x C    12.8493  -14.7346
            7   C2y C    13.6721  -15.8548
            8   C6a C    13.2927  -18.3110
            9   O5x O     9.1153  -17.5527
            10  C1b C     8.8997  -14.4546
            11  S2a S    15.0721  -15.8548
            12  O6a O    14.6580  -18.5970
            13  O6a O    12.3593  -19.3495
            14  C1a C     7.6919  -15.1547
            15  C1b C    16.2740  -15.1547
            16  C1b C    17.4818  -15.8431
            17  N1b N    18.6894  -15.1490
            18  C5a C    19.8866  -15.8436
            19  C1b C    21.1097  -15.1407
            20  O5a O    19.8830  -17.2708
            21  C1b C    22.3465  -15.8166
            22  N1b N    23.5587  -15.1168
            23  C5a C    24.7709  -15.8166
            24  C1c C    25.9831  -15.1168
            25  C1d C    27.1953  -15.8166
            26  C1b C    28.4075  -15.1168
            27  O1a O    29.6196  -15.8166
            28  O5a O    24.7709  -17.2163
            29  O1a O    25.9831  -13.7171
            30  C1a C    26.4955  -17.0288
            31  C1a C    27.8952  -17.0288
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 2
            7     3   8 1
            8     4   9 2
            9     5  10 1 #Down
            10    7  11 1
            11    8  12 1
            12    8  13 2
            13   10  14 1
            14   11  15 1
            15   15  16 1
            16   16  17 1
            17    4   5 1
            18    6   7 1
            19   17  18 1
            20   18  19 1
            21   18  20 2
            22   19  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   23  28 2
            30   24  29 1 #Down
            31   25  30 1
            32   25  31 1

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