KEGG   COMPOUND: C17373Help
Entry
C17373                      Compound                               

Name
OA-6129 B1
Formula
C20H31N3O8S
Exact mass
473.1832
Mol weight
473.5404
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00332  Carbapenem biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
2.8.2.-
Other DBs
CAS: 82510-13-2
PubChem: 96023726
ChEBI: 81040
KNApSAcK: C00018450
NIKKAJI: J2.806.286I
KCF data Show

ATOM        32
            1   N1y N    19.6488  -18.0985
            2   C1y C    19.6488  -16.7038
            3   C2y C    20.9793  -18.5244
            4   C5x C    18.2426  -18.1101
            5   C1y C    18.2426  -16.7038
            6   C1x C    20.9734  -16.2778
            7   C2y C    21.7963  -17.3982
            8   C6a C    21.4169  -19.8549
            9   O5x O    17.2387  -19.0964
            10  C1c C    17.0230  -15.9977
            11  S2a S    23.1966  -17.3982
            12  O6a O    22.7824  -20.1409
            13  O6a O    20.4833  -20.8936
            14  C1a C    15.8150  -16.6980
            15  O1a O    17.0171  -14.5972
            16  C1b C    24.3988  -16.6980
            17  C1b C    25.6068  -17.3865
            18  N1b N    26.8146  -16.6923
            19  C5a C    28.0121  -17.3870
            20  C1b C    29.2354  -16.6839
            21  O5a O    28.0085  -18.8145
            22  C1b C    30.4724  -17.3600
            23  N1b N    31.6849  -16.6600
            24  C5a C    32.8973  -17.3600
            25  C1c C    34.1097  -16.6600
            26  C1d C    35.3222  -17.3600
            27  C1b C    36.5346  -16.6600
            28  O1a O    37.7470  -17.3600
            29  O5a O    32.8973  -18.7600
            30  O1a O    34.1097  -15.2601
            31  C1a C    34.6222  -18.5724
            32  C1a C    36.0222  -18.5724
BOND        33
            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
            10    7  11 1
            11    8  12 1
            12    8  13 2
            13   10  14 1
            14   10  15 1 #Down
            15   11  16 1
            16   16  17 1
            17   17  18 1
            18    4   5 1
            19    6   7 1
            20   18  19 1
            21   19  20 1
            22   19  21 2
            23   20  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   24  29 2
            31   25  30 1 #Down
            32   26  31 1
            33   26  32 1

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