KEGG   COMPOUND: C21565Help
Entry
C21565                      Compound                               

Name
Prodigiosin;
4-Methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)-2,2'-bipyrrole
Formula
C20H25N3O
Exact mass
323.1998
Mol weight
323.432
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00333  Prodigiosin biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00837  Prodigiosin biosynthesis, L-proline => prodigiosin
Other DBs
CAS: 82-89-3
PubChem: 340076547
KCF data Show

ATOM        24
            1   C8y C    21.3838  -14.6702
            2   C8y C    19.0785  -14.6702
            3   N4x N    20.1962  -13.9018
            4   C8y C    20.8948  -15.9975
            5   C8x C    19.4976  -15.9975
            6   C2b C    17.8910  -13.9716
            7   C2y C    16.7034  -14.6702
            8   C2y C    14.3981  -14.6702
            9   N2x N    15.5158  -13.8319
            10  C2y C    16.2144  -15.9975
            11  C2x C    14.8173  -15.9975
            12  N4x N    11.8833  -13.8319
            13  C8y C    13.0010  -14.6702
            14  C8x C    12.5818  -15.9975
            15  C8x C    11.1846  -15.9975
            16  C8x C    10.7655  -14.6702
            17  O2a O    17.0527  -17.1851
            18  C1a C    17.0527  -18.5822
            19  C1b C    21.7886  -17.0713
            20  C1a C    22.7607  -14.4330
            21  C1b C    23.1406  -16.7091
            22  C1b C    24.1303  -17.6987
            23  C1b C    25.4822  -17.3365
            24  C1a C    26.4719  -18.3261
BOND        26
            1    12  13 1
            2    13  14 2
            3    14  15 1
            4    16  12 1
            5    13   8 1
            6     2   6 1
            7     4   5 1
            8     8   9 2
            9     9   7 1
            10    7  10 1
            11   10  11 2
            12   11   8 1
            13   15  16 2
            14    2   3 1
            15    6   7 2
            16    3   1 1
            17   10  17 1
            18    1   4 2
            19   17  18 1
            20    4  19 1
            21    1  20 1
            22   19  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26    2   5 2

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