KEGG   COMPOUND: C06627Help
Entry
C06627                      Compound                               

Name
4-Keto-anhydrotetracycline;
4-Ketoanhydrotetracycline;
4-Keto-ATC;
4-Dedimethylamino-4-oxo-anhydrotetracycline;
4-De(dimethylamino)-4-oxoanhydrotetracycline;
(4aR,12aS)-3,10,11,12a-Tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboxamide
Formula
C20H15NO8
Exact mass
397.0798
Mol weight
397.335
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00253  Tetracycline biosynthesis
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00780  Tetracycline/oxytetracycline biosynthesis, pretetramide => tetracycline/oxytetracycline
M00823  Chlortetracycline biosynthesis, pretetramide => chlortetracycline
Enzyme
1.14.13.232     1.14.13.233     1.14.14.-
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK07 Linear tetracyclines
   C06627  4-Dedimethylamino-4-oxo-anhydrotetracycline
BRITE hierarchy
Other DBs
PubChem: 8853
ChEBI: 28408
LIPIDMAPS: LMPK07000007
3DMET: B05217
NIKKAJI: J2.762.510J
KCF data Show

ATOM        29
            1   C8y C    24.2960  -16.7475
            2   C8y C    24.3076  -15.3476
            3   C5x C    25.5034  -17.4533
            4   C8y C    23.0826  -17.4416
            5   C1x C    25.5266  -14.6534
            6   C8y C    23.0943  -14.6360
            7   C1z C    26.7166  -16.7650
            8   O5x O    25.4917  -18.8532
            9   C8y C    21.8752  -16.7359
            10  O1a O    23.0710  -18.8298
            11  C1y C    26.7340  -15.3650
            12  C8y C    21.8811  -15.3359
            13  C1a C    23.1060  -13.2301
            14  C5x C    27.9123  -17.4766
            15  O1a O    26.6990  -18.1590
            16  C8y C    20.6678  -17.4358
            17  C5x C    27.9473  -14.6827
            18  C8x C    20.6678  -14.6301
            19  C2y C    29.1314  -16.8000
            20  O5x O    27.9590  -18.8823
            21  C8x C    19.4487  -16.7359
            22  O1a O    20.6678  -18.8356
            23  C2y C    29.1489  -15.4001
            24  O5x O    27.9414  -13.2828
            25  C8x C    19.4487  -15.3359
            26  C5a C    30.3389  -17.5174
            27  O1a O    30.3796  -14.7177
            28  N1a N    31.5637  -16.8350
            29  O5a O    30.3155  -18.9173
BOND        32
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Down
            15    9  16 1
            16   11  17 1
            17   12  18 1
            18   14  19 1
            19   14  20 2
            20   16  21 2
            21   16  22 1
            22   17  23 1
            23   17  24 2
            24   18  25 2
            25   19  26 1
            26   23  27 1
            27   26  28 1
            28   26  29 2
            29    7  11 1
            30    9  12 1
            31   19  23 2
            32   21  25 1

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