KEGG   COMPOUND: C06565Help
Entry
C06565                      Compound                               

Name
Deacetoxycephalosporin C;
DAOC
Formula
C14H19N3O6S
Exact mass
357.0995
Mol weight
357.3822
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00311  Penicillin and cephalosporin biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00673  Cephamycin C biosynthesis, aminoadipate + cycteine + valine => cephamycin C
Enzyme
1.14.11.26      1.14.20.1
Other DBs
CAS: 26924-74-3
PubChem: 8794
ChEBI: 18229
PDB-CCD: P1C[PDBj]
3DMET: B02070
NIKKAJI: J92.761I
KCF data Show

ATOM        24
            1   C1y C    28.3287  -21.7575
            2   N1y N    28.3287  -23.1468
            3   C1y C    26.9394  -21.7634
            4   S2x S    29.5313  -21.0629
            5   C5x C    26.9394  -23.1527
            6   C2y C    29.5254  -23.8416
            7   N1b N    25.5326  -21.7517
            8   C1x C    30.7280  -21.7634
            9   O5x O    25.6902  -23.8533
            10  C2y C    30.7280  -23.1527
            11  C6a C    29.5196  -25.2717
            12  C5a C    24.3301  -22.4405
            13  C1a C    31.9655  -23.8590
            14  O6a O    28.2705  -25.9839
            15  O6a O    30.7571  -25.9897
            16  C1b C    23.1217  -21.7458
            17  O5a O    24.3942  -23.8416
            18  C1b C    21.9134  -22.4405
            19  C1b C    20.7107  -21.7458
            20  C1c C    19.5023  -22.4405
            21  C6a C    18.2882  -21.7458
            22  N1a N    19.4966  -23.8416
            23  O6a O    17.0798  -22.4346
            24  O6a O    18.2825  -20.3448
BOND        25
            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     4   8 1
            8     5   9 2
            9     6  10 2
            10    6  11 1
            11    7  12 1
            12   10  13 1
            13   11  14 1
            14   11  15 2
            15   12  16 1
            16   12  17 2
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1 #Up
            22   21  23 1
            23   21  24 2
            24    3   5 1
            25    8  10 1

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