KEGG   COMPOUND: C20513Help
Entry
C20513                      Compound                               

Name
6-Hydroxytryprostatin B;
Desmethyltryprostatin A
Formula
C21H25N3O3
Exact mass
367.1896
Mol weight
367.4415
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00786  Fumitremorgin alkaloid biosynthesis, tryptophan + proline => fumitremorgin C/A
Enzyme
Other DBs
PubChem: 172232262
ChEMBL: CHEMBL3884295
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    19.5612  -14.2689
            2   N1x N    19.5612  -15.6768
            3   C5x C    20.7805  -16.3808
            4   C1y C    21.9998  -15.6768
            5   N1y N    21.9998  -14.2689
            6   C5x C    20.7805  -13.5650
            7   C1x C    23.3389  -16.1119
            8   C1x C    24.1664  -14.9729
            9   C1x C    23.3389  -13.8339
            10  C1b C    18.3420  -13.5650
            11  C8y C    17.1397  -14.2593
            12  C8y C    15.8805  -13.6987
            13  C8y C    14.9583  -14.7231
            14  N4x N    15.6476  -15.9167
            15  C8y C    16.9957  -15.6301
            16  C8x C    15.4453  -12.3598
            17  C8x C    14.0682  -12.0672
            18  C8y C    13.1460  -13.0915
            19  C8x C    13.5811  -14.4305
            20  O5x O    20.7805  -12.1571
            21  O5x O    20.7805  -17.7887
            22  C1b C    18.0471  -16.5768
            23  C2b C    17.7503  -17.9753
            24  C2c C    18.7981  -18.9183
            25  C1a C    20.1278  -18.7675
            26  C1a C    18.5058  -20.2946
            27  O1a O    11.7897  -12.8033
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    1  10 1 #Up
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   11  15 2
            18   12  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   13  19 2
            23    6  20 2
            24    3  21 2
            25   15  22 1
            26   22  23 1
            27   23  24 2
            28   24  25 1
            29   24  26 1
            30   18  27 1

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