KEGG   COMPOUND: C05575Help
Entry
C05575                      Compound                               

Name
Hercynine;
Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine
Formula
C9H16N3O2
Exact mass
198.1243
Mol weight
198.2422
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Histidine metabolism
Enzyme
1.14.99.50      1.14.99.51      2.1.1.44
Other DBs
CAS: 
534-30-5
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
KCF data Show

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

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