KEGG   COMPOUND: C06569Help
Entry
C06569                      Compound                               

Name
7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C
Formula
C15H20N4O9S
Exact mass
432.0951
Mol weight
432.4057
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Penicillin and cephalosporin biosynthesis
Biosynthesis of antibiotics
Module
M00673  
Cephamycin C biosynthesis, aminoadipate + cycteine + valine => cephamycin C
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C1y C    26.4785  -22.0962
            2   N1y N    26.4785  -23.4853
            3   C1z C    25.0893  -22.0962
            4   S2x S    27.6808  -21.4017
            5   C2y C    27.6808  -24.1800
            6   C5x C    25.0893  -23.4912
            7   N1b N    23.6885  -22.0904
            8   O1a O    25.0777  -20.7012
            9   C1x C    28.8832  -22.1021
            10  C2y C    28.8773  -23.4912
            11  C6a C    27.6691  -25.6099
            12  O5x O    23.8402  -24.1916
            13  C5a C    22.4746  -21.3900
            14  C1b C    30.1205  -24.1974
            15  O6a O    26.4201  -26.3220
            16  O6a O    28.9066  -26.3277
            17  C1b C    21.2663  -22.0904
            18  O5a O    22.4629  -19.9951
            19  O7a O    31.3228  -23.4912
            20  C1b C    20.0581  -21.3900
            21  C7a C    32.5369  -24.1857
            22  C1b C    18.8557  -22.0904
            23  N1a N    33.7452  -23.4795
            24  O6a O    32.5427  -25.5808
            25  C1c C    17.6475  -21.3900
            26  C6a C    16.4452  -22.0904
            27  N1a N    17.6417  -19.9951
            28  O6a O    15.2311  -21.3900
            29  O6a O    16.4452  -23.4853
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1
            6     3   7 1 #Up
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   10  14 1
            14   11  15 1
            15   11  16 2
            16   13  17 1
            17   13  18 2
            18   14  19 1
            19   17  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25   25  26 1
            26   25  27 1 #Down
            27   26  28 1
            28   26  29 2
            29    3   6 1
            30    9  10 1

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