KEGG   COMPOUND: C04712
Entry
C04712                      Compound                               

Name
(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate
Formula
C16H18N2O9S
Exact mass
414.0733
Mol weight
414.3871
Structure
Reaction
Pathway
map00311  Penicillin and cephalosporin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.4.3.3         2.6.1.74
Other DBs
PubChem: 7284
ChEBI: 15838
3DMET: B01777
NIKKAJI: J431.585E
LinkDB
KCF data

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

» Japanese version

DBGET integrated database retrieval system