KEGG   COMPOUND: C04448
Entry
C04448                      Compound                               
Name
3-Hydroxymethyl ceph-3-em-4-carboxylate
Formula
C9H8N2O5SR2
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 7077
ChEBI: 47879
KCF data

ATOM        19
            1   N1y N    24.8355  -17.6205
            2   C1y C    24.8472  -16.2316
            3   C5x C    23.4465  -17.6321
            4   C2y C    26.0438  -18.3331
            5   C1z C    23.4465  -16.2316
            6   S2x S    26.0614  -15.5435
            7   O5x O    22.4540  -18.6248
            8   C2y C    27.2578  -17.6379
            9   C6a C    26.0380  -19.7340
            10  N1b N    22.4482  -15.2332
            11  C1x C    27.2637  -16.2433
            12  O6a O    24.8181  -20.4278
            13  O6a O    27.2461  -20.4337
            14  C5a C    21.0940  -15.6017
            15  R   R    20.1085  -14.6092
            16  O5a O    20.7325  -16.9557
            17  R   R    24.1333  -14.8933
            18  C1b C    28.4696  -18.3485
            19  O1a O    29.6884  -17.6497
BOND        20
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 2
            5     4   8 2
            6     4   9 1
            7     5  10 1
            8     6  11 1
            9     9  12 1
            10    9  13 2
            11   10  14 1
            12   14  15 1
            13   14  16 2
            14    3   5 1
            15    8  11 1
            16    5  17 1 #Down
            17    1   2 1
            18    8  18 1
            19    1   3 1
            20   18  19 1

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