KEGG   COMPOUND: C18296Help
Entry
C18296                      Compound                               

Name
5a,11a-Dehydrooxytetracycline
Formula
C22H22N2O9
Exact mass
458.1325
Mol weight
458.4181
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
Enzyme
1.3.98.4        1.14.13.234
Other DBs
PubChem: 103061478
ChEBI: 134368
LinkDB All DBs
KCF data Show

ATOM        33
            1   C2y C    26.0589  -16.8949
            2   C2y C    26.0705  -15.4945
            3   C5x C    27.2667  -17.6010
            4   C5x C    24.8451  -17.5893
            5   C1y C    27.2899  -14.8001
            6   C1z C    24.8568  -14.7827
            7   C1z C    28.4803  -16.9124
            8   O5x O    27.3250  -19.0014
            9   C8y C    23.6373  -16.8833
            10  O5x O    24.8335  -18.9779
            11  C1y C    28.4977  -15.5119
            12  C8y C    23.6432  -15.4829
            13  C5x C    29.6764  -17.6243
            14  O1a O    28.4627  -18.3069
            15  C8y C    22.4295  -17.5835
            16  C1y C    29.7114  -14.8294
            17  C8x C    22.4295  -14.7768
            18  C2y C    30.9659  -16.9474
            19  O5x O    29.6532  -19.0305
            20  C8x C    21.2099  -16.8833
            21  O1a O    22.4295  -18.9838
            22  C2y C    30.9134  -15.5470
            23  N1c N    29.7055  -13.4290
            24  C8x C    21.2099  -15.4829
            25  C5a C    32.1039  -17.6651
            26  O1a O    32.1447  -14.8644
            27  N1a N    33.3292  -16.9824
            28  O5a O    32.1505  -19.0655
            29  C1a C    28.4887  -12.7333
            30  C1a C    30.8995  -12.7331
            31  C1a C    25.2193  -13.4299
            32  O1a O    24.1566  -13.5699
            33  O1a O    27.2899  -13.3996
BOND        36
            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 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Down
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   13  19 2
            19   15  20 2
            20   15  21 1
            21   16  22 1
            22   16  23 1 #Down
            23   17  24 2
            24   18  25 1
            25   22  26 1
            26   25  27 1
            27   25  28 2
            28    7  11 1
            29    9  12 2
            30   18  22 2
            31   20  24 1
            32   23  29 1
            33   23  30 1
            34    6  31 1 #Down
            35    6  32 1 #Up
            36    5  33 1 #Down

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