KEGG   COMPOUND: C04712Help
Entry
C04712                      Compound                               

Name
(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate
Formula
C16H18N2O9S
Exact mass
414.0733
Mol weight
414.3871
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00311  Penicillin and cephalosporin biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
1.4.3.3         2.6.1.74
Other DBs
PubChem: 7284
ChEBI: 15838
3DMET: B01777
NIKKAJI: J431.585E
KCF data Show

ATOM        28
            1   N1y N    26.8878  -23.8219
            2   C1y C    26.8878  -22.4537
            3   C2y C    28.0697  -24.5379
            4   C5x C    25.5139  -23.8219
            5   C1y C    25.5139  -22.4537
            6   S2x S    28.0697  -21.7667
            7   C2y C    29.2690  -23.8336
            8   C6a C    28.0580  -25.9119
            9   O5x O    24.5418  -24.7883
            10  N1b N    23.3773  -21.8775
            11  C1x C    29.2690  -22.4537
            12  C1b C    30.4566  -24.5205
            13  O6a O    26.8645  -26.5756
            14  O6a O    29.2398  -26.5931
            15  C5a C    22.1955  -21.1963
            16  O7a O    31.6501  -23.8277
            17  C1b C    21.0079  -21.8775
            18  O5a O    22.1955  -19.8223
            19  C7a C    32.8378  -24.5205
            20  C1b C    19.8202  -21.1963
            21  C1a C    34.0137  -23.8277
            22  O6a O    32.8435  -25.8886
            23  C1b C    18.6384  -21.8775
            24  C5a C    17.4508  -21.1963
            25  C6a C    16.2574  -21.8775
            26  O5a O    17.4508  -19.8223
            27  O6a O    15.0756  -21.1905
            28  O6a O    16.2631  -23.2514
BOND        29
            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 #Up
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    8  14 2
            14   10  15 1
            15   12  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   17  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1
            23   23  24 1
            24   24  25 1
            25   24  26 2
            26   25  27 1
            27   25  28 2
            28    4   5 1
            29    7  11 1

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