KEGG   COMPOUND: C12023Help
Entry
C12023                      Compound                               

Name
Undecylprodigiosin;
2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole
Formula
C25H35N3O
Exact mass
393.278
Mol weight
393.5649
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00333  Prodigiosin biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00838  Undecylprodigiosin biosynthesis, L-proline => undecylprodigiosin
Other DBs
CAS: 52340-48-4 13129-81-2
PubChem: 14180
ChEBI: 29702
KNApSAcK: C00018035 C00018818
NIKKAJI: J125.974A
KCF data Show

ATOM        29
            1   C8y C    26.6700  -17.9900
            2   C8y C    24.3600  -17.9900
            3   N4x N    25.4800  -17.2200
            4   C8x C    26.1800  -19.3200
            5   C8x C    24.7800  -19.3200
            6   C2b C    23.1700  -17.2900
            7   C2y C    21.9800  -17.9900
            8   C2y C    19.6700  -17.9900
            9   N2x N    20.7900  -17.1500
            10  C2y C    21.4900  -19.3200
            11  C2x C    20.0900  -19.3200
            12  N4x N    17.1500  -17.1500
            13  C8y C    18.2700  -17.9900
            14  C8x C    17.8500  -19.3200
            15  C8x C    16.4500  -19.3200
            16  C8x C    16.0300  -17.9900
            17  C1b C    27.8600  -17.3600
            18  C1b C    29.0500  -18.0600
            19  C1b C    30.2400  -17.3600
            20  C1b C    31.5000  -18.0600
            21  C1b C    32.6900  -17.3600
            22  C1b C    33.8800  -18.0600
            23  C1b C    35.1400  -17.3600
            24  C1b C    36.3300  -18.0600
            25  C1b C    37.5200  -17.3600
            26  C1b C    38.7100  -18.0600
            27  C1a C    39.9700  -17.3600
            28  O2a O    22.3300  -20.5100
            29  C1a C    22.3300  -21.9100
BOND        31
            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     1  17 1
            9     5   2 2
            10   17  18 1
            11    8   9 2
            12   18  19 1
            13    9   7 1
            14   19  20 1
            15    7  10 1
            16   20  21 1
            17   10  11 2
            18   21  22 1
            19   11   8 1
            20   22  23 1
            21   15  16 2
            22   23  24 1
            23   24  25 1
            24    2   3 1
            25   25  26 1
            26    6   7 2
            27   26  27 1
            28    3   1 1
            29   10  28 1
            30    1   4 2
            31   28  29 1

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