Entry |
|
Name |
Hercynine;
Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine
|
Formula |
C9H16N3O2
|
Exact mass |
198.1243
|
Mol weight |
198.24
|
Structure |
|
Reaction |
|
Pathway |
|
Enzyme |
|
Other DBs |
|
KCF data |
ATOM 14
1 C8y C 18.1300 -17.0800
2 C1b C 19.3424 -17.7800
3 C1c C 20.5549 -17.0800
4 C6a C 21.7673 -17.7800
5 O6a O 22.9797 -17.0800
6 O6a O 21.7673 -19.1800
7 N1d N 20.5549 -15.6802 #+
8 C1a C 21.7861 -14.9692
9 C1a C 19.3613 -14.9910
10 C1a C 20.5549 -14.2802
11 C8x C 17.9837 -15.6877
12 N4x N 16.6142 -15.3966
13 C8x C 15.9142 -16.6090
14 N5x N 16.8510 -17.6494
BOND 14
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 6 2
6 3 7 1 #Down
7 7 8 1
8 7 9 1
9 7 10 1
10 1 11 2
11 11 12 1
12 12 13 1
13 13 14 2
14 1 14 1
|