KEGG   COMPOUND: C04498
Entry
C04498                      Compound                               
Name
p-Coumaroylagmatine;
N-(4-Guanidinobutyl)-4-hydroxycinnamide;
N-(4-Guanidinobutyl)-4-hydroxycinnamamide
Formula
C14H20N4O2
Exact mass
276.1586
Mol weight
276.3342
Structure
Reaction
R01617 R12993
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
2.3.1.64
Other DBs
PubChem: 7113
ChEBI: 32818
KNApSAcK: C00028060
3DMET: B00725
NIKKAJI: J817.815A
LinkDB
KCF data

ATOM        20
            1   C1b C    30.5356  -24.9611
            2   C1b C    31.7353  -24.2554
            3   C1b C    32.9349  -24.9611
            4   C1b C    34.1346  -24.2554
            5   N1b N    35.3343  -24.9611
            6   C2c C    36.5340  -24.2554
            7   N2a N    36.5340  -22.8441
            8   N1a N    37.7337  -24.9611
            9   N1b N    29.3076  -24.2654
            10  C5a C    28.1165  -24.9662
            11  C2b C    26.9013  -24.2776
            12  C2b C    25.7206  -24.9721
            13  O5a O    28.1280  -26.3725
            14  C8y C    24.5004  -24.2805
            15  C8x C    24.4893  -22.8900
            16  C8x C    23.2713  -22.1997
            17  C8y C    22.0645  -22.9094
            18  C8x C    22.0756  -24.2999
            19  C8x C    23.2936  -24.9902
            20  O1a O    20.8272  -22.2083
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     6   8 1
            8     1   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   10  13 2
            13   12  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   14  19 1
            20   17  20 1

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