KEGG   COMPOUND: C17940
Entry
C17940                      Compound                               

Name
Rhizocticin B
Formula
C16H31N6O7P
Exact mass
450.1992
Mol weight
450.4271
Structure
Reaction
Pathway
map00440  Phosphonate and phosphinate metabolism
Other DBs
PubChem: 96024161
ChEBI: 81396
NIKKAJI: J2.713.868C
KCF data

ATOM        30
            1   C1c C    27.4411  -21.2997
            2   N1b N    28.5942  -21.9781
            3   C5a C    29.7474  -21.2997
            4   C1c C    30.9683  -21.9781
            5   C1b C    32.1215  -21.2997
            6   C1b C    33.2746  -21.9781
            7   C1b C    34.4278  -21.2997
            8   N1b N    35.5810  -21.9781
            9   C2c C    36.8020  -21.3667
            10  C6a C    27.4411  -19.9430
            11  O6a O    28.5942  -19.2647
            12  O6a O    26.2879  -19.2647
            13  O5a O    29.7474  -19.9430
            14  N1b N    30.9683  -24.4219
            15  N2a N    36.8009  -20.2819
            16  N1a N    37.8873  -22.1802
            17  C5a C    32.1432  -25.1003
            18  C1c C    33.3182  -24.4219
            19  C1c C    34.2213  -25.1003
            20  C1a C    35.6679  -24.2860
            21  O5a O    32.1432  -26.4570
            22  N1a N    33.3182  -23.1287
            23  C1a C    34.2201  -26.6149
            24  O1c O    20.7246  -21.0958
            25  P1b P    22.1491  -21.0279
            26  O1c O    22.1491  -19.6712
            27  O1c O    22.1491  -22.3846
            28  C2b C    24.9988  -21.9792
            29  C2b C    26.2879  -21.9781
            30  C1b C    23.7758  -21.1638
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     1  10 1
            10   10  11 2
            11   10  12 1
            12    3  13 2
            13    4  14 1 #Down
            14    9  15 2
            15    9  16 1
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   17  21 2
            21   18  22 1
            22   19  23 1
            23   24  25 1
            24   25  26 2
            25   25  27 1
            26   28  29 2
            27   28  30 1
            28   25  30 1
            29    1  29 1 #Up

» Japanese version

KEGG   COMPOUND: C17944
Entry
C17944                      Compound                               

Name
Rhizocticin A
Formula
C11H22N5O6P
Exact mass
351.1308
Mol weight
351.296
Structure
Reaction
Pathway
map00440  Phosphonate and phosphinate metabolism
Other DBs
CAS: 114301-25-6
PubChem: 96024165
ChEBI: 81400
ChEMBL: CHEMBL2415100
NIKKAJI: J2.713.867E
KCF data

ATOM        23
            1   C1c C    27.3605  -22.6869
            2   N1b N    28.5030  -23.4009
            3   C5a C    29.7168  -22.6869
            4   C1c C    30.9307  -23.4009
            5   C1b C    32.1445  -22.6869
            6   C1b C    33.2870  -23.4009
            7   C1b C    34.5009  -22.6869
            8   N1b N    35.6433  -23.4009
            9   C2c C    36.9286  -22.7583
            10  C6a C    27.3605  -21.3302
            11  O6a O    28.5030  -20.6162
            12  O6a O    26.2180  -20.6162
            13  O5a O    29.7168  -21.3302
            14  N1a N    30.9307  -25.1146
            15  N2a N    36.9286  -21.6872
            16  N1a N    37.9996  -23.6151
            17  O1c O    20.5057  -22.4727
            18  P1b P    21.9337  -22.4013
            19  O1c O    21.9337  -21.0446
            20  O1c O    21.9337  -23.8293
            21  C2b C    24.8613  -23.4009
            22  C2b C    26.2180  -23.4009
            23  C1b C    23.6474  -22.5441
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     1  10 1
            10   10  11 2
            11   10  12 1
            12    3  13 2
            13    4  14 1 #Down
            14    9  15 2
            15    9  16 1
            16   17  18 1
            17   18  19 2
            18   18  20 1
            19   21  22 2
            20   21  23 1
            21   18  23 1
            22    1  22 1 #Up

» Japanese version

KEGG   COMPOUND: C17960
Entry
C17960                      Compound                               

Name
Rhizocticin C
Formula
C17H33N6O7P
Exact mass
464.2148
Mol weight
464.4537
Structure
Reaction
Pathway
map00440  Phosphonate and phosphinate metabolism
Other DBs
PubChem: 96024180
ChEBI: 81412
NIKKAJI: J2.713.869A
KCF data

ATOM        31
            1   C1c C    27.4287  -21.2398
            2   N1b N    28.5540  -21.9431
            3   C5a C    29.7496  -21.2398
            4   C1c C    30.9451  -21.9431
            5   C1b C    32.1407  -21.2398
            6   C1b C    33.2660  -21.9431
            7   C1b C    34.4617  -21.2398
            8   N1b N    35.5869  -21.9431
            9   C2c C    36.8528  -21.3101
            10  C6a C    27.4287  -19.9036
            11  O6a O    28.5540  -19.2003
            12  O6a O    26.3035  -19.2003
            13  O5a O    29.7496  -19.9036
            14  N1b N    30.9451  -24.4046
            15  N2a N    36.8528  -20.2552
            16  N1a N    37.9077  -22.1541
            17  C5a C    32.1407  -25.1079
            18  C1c C    33.3363  -24.4046
            19  C1c C    34.2507  -25.1079
            20  O5a O    32.1407  -26.4441
            21  N1a N    33.3363  -23.0684
            22  C1a C    34.2507  -26.5848
            23  C1b C    35.4688  -24.4046
            24  C1a C    36.6869  -25.1079
            25  O1c O    20.6772  -21.0288
            26  P1b P    22.0838  -20.9585
            27  O1c O    22.0838  -19.6223
            28  O1c O    22.0838  -22.3651
            29  C2b C    24.9672  -21.9431
            30  C2b C    26.3035  -21.9431
            31  C1b C    23.7716  -21.0992
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     1  10 1
            10   10  11 2
            11   10  12 1
            12    3  13 2
            13    4  14 1 #Down
            14    9  15 2
            15    9  16 1
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   17  20 2
            20   18  21 1
            21   19  22 1
            22   19  23 1
            23   23  24 1
            24   25  26 1
            25   26  27 2
            26   26  28 1
            27   29  30 2
            28   29  31 1
            29   26  31 1
            30    1  30 1 #Up

» Japanese version

KEGG   COMPOUND: C17961
Entry
C17961                      Compound                               

Name
Rhizocticin D
Formula
C17H33N6O7P
Exact mass
464.2148
Mol weight
464.4537
Structure
Reaction
Pathway
map00440  Phosphonate and phosphinate metabolism
Other DBs
PubChem: 96024181
ChEBI: 81413
NIKKAJI: J2.705.050F
KCF data

ATOM        31
            1   C1c C    27.4264  -21.2695
            2   N1b N    28.5458  -21.9692
            3   C5a C    29.7352  -21.2695
            4   C1c C    30.9246  -21.9692
            5   C1b C    32.1139  -21.2695
            6   C1b C    33.2334  -21.9692
            7   C1b C    34.4228  -21.2695
            8   N1b N    35.5422  -21.9692
            9   C2c C    36.8016  -21.3395
            10  C6a C    27.4264  -19.9402
            11  O6a O    28.5458  -19.2404
            12  O6a O    26.3069  -19.2404
            13  O5a O    29.7352  -19.9402
            14  N1b N    30.9246  -24.4879
            15  N2a N    36.8016  -20.2900
            16  N1a N    37.9210  -22.1790
            17  C5a C    32.1139  -25.1875
            18  C1c C    33.3034  -24.4879
            19  C1b C    34.2129  -25.1875
            20  O5a O    32.1139  -26.5169
            21  N1a N    33.3034  -23.1586
            22  C1c C    35.4723  -24.4879
            23  C1a C    36.6617  -25.1875
            24  C1a C    35.4723  -23.0886
            25  O1c O    20.6398  -21.0596
            26  P1b P    22.0391  -20.9896
            27  O1c O    22.0391  -19.6602
            28  O1c O    22.0391  -22.4589
            29  C2b C    24.9776  -21.9692
            30  C2b C    26.3069  -21.9692
            31  C1b C    23.7882  -21.1296
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     1  10 1
            10   10  11 2
            11   10  12 1
            12    3  13 2
            13    4  14 1 #Down
            14    9  15 2
            15    9  16 1
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   17  20 2
            20   18  21 1
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   25  26 1
            25   26  27 2
            26   26  28 1
            27   29  30 2
            28   29  31 1
            29   26  31 1
            30    1  30 1 #Up

» Japanese version

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