KEGG   COMPOUND: C12394Help
Entry
C12394                      Compound                               

Name
Kinamycin D
Formula
C22H18N2O9
Exact mass
454.1012
Mol weight
454.3863
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 35303-14-1
PubChem: 582784
ChEBI: 31751
ChEMBL: CHEMBL215875
KNApSAcK: C00018813
3DMET: B04478
NIKKAJI: J591.160E
KCF data Show

ATOM        33
            1   C8x C    16.9531  -15.6229
            2   C8x C    16.9531  -17.0243
            3   C8x C    18.1667  -17.7250
            4   C8y C    19.3803  -17.0243
            5   C8y C    19.3803  -15.6229
            6   C8y C    18.1667  -14.9223
            7   C5x C    20.5939  -17.7250
            8   C2y C    21.8075  -17.0243
            9   C2y C    21.8075  -15.6229
            10  C5x C    20.5939  -14.9223
            11  C2y C    23.1403  -17.4573
            12  C2y C    23.9641  -16.3236
            13  C2y C    23.1403  -15.1899
            14  C1y C    23.7105  -18.7376
            15  C1y C    25.1041  -18.8840
            16  C1z C    25.9278  -17.7503
            17  C1y C    25.3579  -16.4701
            18  O5x O    20.5939  -13.5209
            19  O5x O    20.5939  -19.1264
            20  O1a O    22.8913  -19.8645
            21  N0  N    23.5675  -13.8748 #+
            22  N2a N    23.9302  -12.5212 #-
            23  O1a O    18.1667  -13.5223
            24  O7a O    26.3478  -15.4802
            25  C7a C    27.7478  -15.4802
            26  C1a C    28.4478  -14.2677
            27  O6a O    28.4478  -16.6926
            28  O1a O    27.3278  -17.7503
            29  C1a C    26.6278  -18.9628
            30  O7a O    25.8041  -20.0965
            31  C7a C    24.8141  -21.0864
            32  C1a C    25.1765  -22.4387
            33  O6a O    23.4618  -20.7241
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15    9  13 1
            16   11  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   10  18 2
            22    7  19 2
            23   14  20 1 #Up
            24   13  21 2
            25   21  22 2
            26    6  23 1
            27   17  24 1 #Up
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   16  28 1 #Up
            32   16  29 1 #Down
            33   15  30 1 #Down
            34   30  31 1
            35   31  32 1
            36   31  33 2

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