KEGG   COMPOUND: C00916Help
Entry
C00916                      Compound                               

Name
Cephalosporin C
Formula
C16H21N3O8S
Exact mass
415.1049
Mol weight
415.4182
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Penicillin and cephalosporin biosynthesis
Metabolic pathways
Biosynthesis of antibiotics
Cephalosporins - parenteral agents
Cephalosporins - oral agents
Enzyme
1.4.3.3         2.3.1.175       2.6.1.74        3.1.1.41
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  beta-Lactams
   Cephems
    C00916  Cephalosporin C
BRITE hierarchy
Other DBs
CAS: 
61-24-5
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   N1y N    29.8961  -19.2045
            2   C1y C    29.8961  -17.8311
            3   C2y C    31.0805  -19.9163
            4   C5x C    28.5228  -19.2045
            5   C1y C    28.5228  -17.8311
            6   S2x S    31.0805  -17.1446
            7   C2y C    32.2836  -19.2170
            8   C6a C    31.0679  -21.2895
            9   O5x O    27.5528  -20.1682
            10  N1b N    26.3872  -17.2578
            11  C1x C    32.2836  -17.8311
            12  C1b C    33.4680  -19.8975
            13  O6a O    29.8773  -21.9574
            14  O6a O    32.2522  -21.9763
            15  C5a C    25.2031  -16.5775
            16  O7a O    34.6586  -19.2107
            17  C1b C    24.0187  -17.2578
            18  O5a O    25.2031  -15.2042
            19  C7a C    35.8429  -19.8975
            20  C1b C    22.8281  -16.5775
            21  C1a C    37.0273  -19.2107
            22  O6a O    35.8493  -21.2643
            23  C1b C    21.6438  -17.2578
            24  C1c C    20.4594  -16.5775
            25  C6a C    19.2688  -17.2578
            26  N1a N    20.4594  -15.2042
            27  O6a O    18.0845  -16.5713
            28  O6a O    19.2751  -18.6313
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 1 #Down
            26   25  27 1
            27   25  28 2
            28    4   5 1
            29    7  11 1

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