KEGG   COMPOUND: C09990Help
Entry
C09990                      Compound                               

Name
Thiobinupharidine
Formula
C30H42N2O2S
Exact mass
494.2967
Mol weight
494.7317
Structure
Mol fileKCF fileDB search
Pathway
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
Other DBs
CAS: 30343-72-7
PubChem: 12176
ChEBI: 9548
ChEMBL: CHEMBL423545
KNApSAcK: C00001985
3DMET: B03437
NIKKAJI: J34.260B
LinkDB All DBs
KCF data Show

ATOM        35
            1   C1z C    27.5581  -20.2203
            2   C1x C    26.7997  -21.3928
            3   C1x C    28.7713  -20.9201
            4   C1x C    26.6773  -19.1470
            5   C1x C    27.5581  -18.8261
            6   C1z C    25.4524  -21.0368
            7   N1y N    29.9788  -20.2203
            8   S2x S    25.3764  -19.6428
            9   C1x C    28.7773  -18.1203
            10  C1x C    24.2449  -20.3252
            11  C1x C    25.4524  -22.4311
            12  C1y C    31.1863  -20.9201
            13  C1y C    29.9788  -18.8261
            14  N1y N    23.0315  -21.0194
            15  C1x C    24.2332  -23.1309
            16  C8y C    31.2505  -22.3201
            17  C1x C    32.3997  -20.2260
            18  C1y C    31.1922  -18.1261
            19  C1y C    21.8182  -20.3194
            20  C1y C    23.0257  -22.4194
            21  C8x C    32.3880  -23.1543
            22  C8x C    30.1188  -23.1485
            23  C1x C    32.3997  -18.8320
            24  C1a C    31.1805  -16.7203
            25  C8y C    21.8299  -18.9252
            26  C1x C    20.6048  -21.0194
            27  C1y C    21.8182  -23.1252
            28  C8x C    31.9505  -24.4842
            29  O2x O    30.5505  -24.4842
            30  C8x C    20.6925  -18.0970
            31  C8x C    22.9557  -18.0970
            32  C1x C    20.6048  -22.4194
            33  C1a C    21.8066  -24.5309
            34  C8x C    21.1240  -16.7611
            35  O2x O    22.5299  -16.7611
BOND        41
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     6   2 1 #Up
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   14  20 1
            20   16  21 1
            21   16  22 2
            22   17  23 1
            23   18  24 1 #Down
            24   19  25 1
            25   19  26 1
            26   20  27 1
            27   21  28 2
            28   22  29 1
            29   25  30 1
            30   25  31 2
            31   26  32 1
            32   27  33 1 #Down
            33   30  34 2
            34   31  35 1
            35    6   8 1 #Down
            36    9  13 1
            37   15  20 1
            38   18  23 1
            39   27  32 1
            40   28  29 1
            41   34  35 1

» Japanese version

DBGET integrated database retrieval system