KEGG   COMPOUND: C17374Help
Entry
C17374                      Compound                               

Name
OA-6129 B2
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
1.14.20.-
Other DBs
CAS: 82475-10-3
PubChem: 96023727
ChEBI: 81041
KNApSAcK: C00018451
NIKKAJI: J2.806.287G
KCF data Show

ATOM        32
            1   N1y N    20.2050  -18.6550
            2   C1y C    20.2050  -17.2605
            3   C2y C    21.5352  -19.0808
            4   C5x C    18.7990  -18.6666
            5   C1y C    18.7990  -17.2605
            6   C1x C    21.5293  -16.8346
            7   C2y C    22.3521  -17.9548
            8   C6a C    21.9727  -20.4110
            9   O5x O    17.7953  -19.6527
            10  C1c C    17.5797  -16.5546
            11  S2a S    23.7521  -17.9548
            12  O6a O    23.3380  -20.6970
            13  O6a O    21.0393  -21.4495
            14  C1a C    16.3719  -17.2547
            15  O1a O    17.5738  -15.1544
            16  C1b C    24.9540  -17.2547
            17  C1b C    26.1618  -17.9431
            18  N1b N    27.3694  -17.2490
            19  C5a C    28.5666  -17.9436
            20  C1b C    29.7897  -17.2407
            21  O5a O    28.5630  -19.3708
            22  C1b C    31.0265  -17.9166
            23  N1b N    32.2387  -17.2168
            24  C5a C    33.4509  -17.9166
            25  C1c C    34.6631  -17.2168
            26  C1d C    35.8753  -17.9166
            27  C1b C    37.0875  -17.2168
            28  O1a O    38.2996  -17.9166
            29  O5a O    33.4509  -19.3163
            30  O1a O    34.6631  -15.8171
            31  C1a C    35.1755  -19.1288
            32  C1a C    36.5752  -19.1288
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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