COMPOUND: C04498
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Entry
C04498 Compound
Name
p-Coumaroylagmatine;
N-(4-Guanidinobutyl)-4-hydroxycinnamide;
N-(4-Guanidinobutyl)-4-hydroxycinnamamide
Formula
C14H20N4O2
Exact mass
276.1586
Mol weight
276.33
Structure
Mol file
KCF file
DB search
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
NIKKAJI:
J817.815A
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All DBs
KCF data
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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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