KEGG   COMPOUND: C12246Help
Entry
C12246                      Compound                               

Name
Protorifamycin I
Formula
C35H45NO10
Exact mass
639.3043
Mol weight
639.7325
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01051  Biosynthesis of ansamycins
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK05 Ansamycins and related polyketides
   C12246  Protorifamycin I
BRITE hierarchy
Other DBs
CAS: 69239-55-0
PubChem: 14391
ChEBI: 32068
LIPIDMAPS: LMPK05000007
KNApSAcK: C00018209
3DMET: B05620
NIKKAJI: J92.551I
KCF data Show

ATOM        46
            1   C8y C    29.3190  -22.4939
            2   C8y C    28.2952  -23.0801
            3   C8y C    29.3347  -21.3212
            4   C5x C    30.3204  -23.0956
            5   C8y C    27.2765  -22.3711
            6   C5a C    28.2952  -24.2579
            7   C5x C    30.3461  -20.7505
            8   C8x C    28.3262  -20.6731
            9   C2x C    31.3557  -22.5145
            10  O5x O    30.3100  -24.2734
            11  C8y C    27.3125  -21.2232
            12  O5a O    29.1219  -25.0970
            13  C2y C    31.3557  -21.3419
            14  O5x O    30.3616  -19.5674
            15  C1a C    27.2970  -20.0454
            16  C2c C    25.0639  -24.3183
            17  N1b N    32.3798  -20.7711
            18  C5a C    32.3901  -19.5985
            19  C2c C    33.4077  -19.0319
            20  O5a O    31.3815  -19.0072
            21  C2b C    33.4231  -17.8645
            22  C2b C    32.4962  -17.2627
            23  C1a C    34.4478  -19.6551
            24  C1a C    24.1283  -25.0975
            25  O1a O    26.2966  -22.9637
            26  C2b C    32.4537  -16.0306
            27  C1c C    31.3925  -15.3860
            28  C1c C    30.3430  -16.0306
            29  C1c C    29.2876  -15.4098
            30  C1c C    28.2323  -16.0306
            31  C1c C    27.1769  -15.4098
            32  C1c C    26.1216  -16.0306
            33  C1c C    25.0662  -15.4098
            34  C1c C    23.9859  -16.0218
            35  C1c C    23.9759  -17.2635
            36  C2b C    25.0312  -17.8842
            37  O1a O    26.1114  -17.2723
            38  C1a C    31.3897  -14.1682
            39  C1a C    27.1769  -14.1682
            40  C1a C    29.2876  -14.1682
            41  O1a O    28.2323  -17.2723
            42  O1a O    30.3548  -17.2722
            43  O1a O    22.9382  -15.4054
            44  C1b C    22.8141  -17.9216
            45  C1a C    25.0777  -14.0001
            46  O1a O    21.6017  -17.2216
BOND        48
            1     2   6 1
            2     3   7 1
            3     3   8 1
            4     4   9 1
            5     4  10 2
            6     5  11 1
            7     6  12 2
            8     7  13 1
            9     7  14 2
            10   11  15 1
            11   13  17 1
            12   17  18 1
            13   18  19 1
            14   18  20 2
            15   19  21 2
            16   21  22 1
            17    8  11 2
            18    9  13 2
            19   19  23 1
            20    1   2 1
            21    1   3 2
            22   16  24 1
            23    1   4 1
            24    5  25 1
            25   16   6 1
            26    2   5 2
            27   22  26 2
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   32  37 1 #Down
            39   27  38 1 #Up
            40   31  39 1 #Down
            41   29  40 1 #Down
            42   30  41 1 #Up
            43   28  42 1 #Down
            44   34  43 1 #Down
            45   36  16 2
            46   35  44 1 #Down
            47   33  45 1 #Up
            48   44  46 1

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