KEGG   COMPOUND: C01804Help
Entry
C01804                      Compound                               

Name
Discadenine;
3-(3-Amino-3-carboxypropyl)-N6-(Delta2-isopentenyl)-adenine
Formula
C14H20N6O2
Exact mass
304.1648
Mol weight
304.3476
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00908  Zeatin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 4930
ChEBI: 15955
3DMET: B01501
NIKKAJI: J18.112I
KCF data Show

ATOM        22
            1   C8y C    25.9543  -21.0642
            2   C8y C    25.9543  -19.6531
            3   N4y N    24.7292  -21.7760
            4   N5x N    27.2886  -21.4939
            5   C8y C    24.7292  -18.9602
            6   N5x N    27.2949  -19.2232
            7   C8x C    23.5170  -21.0642
            8   C1b C    24.7229  -23.1745
            9   C8x C    28.1096  -20.3650
            10  N5x N    23.5170  -19.6531
            11  N1b N    24.7229  -17.5620
            12  C1b C    23.5011  -16.8638
            13  C1b C    23.4996  -23.8735
            14  C1c C    22.3041  -23.1760
            15  C6a C    21.1107  -23.8579
            16  N1a N    22.3104  -21.7701
            17  O6a O    19.9286  -23.1683
            18  O6a O    21.1741  -25.2695
            19  C2b C    22.3033  -17.5626
            20  C2c C    21.1111  -16.8813
            21  C1a C    19.9283  -17.5713
            22  C1a C    21.1746  -15.4704
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6   9 2
            12    7  10 2
            13   11  12 1
            14    8  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18   15  17 1
            19   15  18 2
            20   12  19 1
            21   19  20 2
            22   20  21 1
            23   20  22 1

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