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
map01110  Biosynthesis of secondary metabolites
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
LinkDB All DBs
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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