KEGG   COMPOUND: C11345
Entry
C11345                      Compound                               
Name
1,2,4-Triazole-3-alanine;
Triazolealanine
Formula
C5H8N4O2
Exact mass
156.0647
Mol weight
156.1426
Structure
Other DBs
CAS: 10109-05-4
PubChem: 13520
ChEBI: 9675
NIKKAJI: J227.038B
KCF data

ATOM        11
            1   N5x N    16.2278  -20.9212
            2   C8x C    16.6488  -22.2565
            3   N4x N    18.0487  -22.2687
            4   C8y C    18.4930  -20.9411
            5   N5x N    17.3676  -20.1083
            6   C1b C    19.6924  -20.2300
            7   C1c C    20.9049  -20.9300
            8   C6a C    22.1173  -20.2300
            9   O6a O    23.3297  -20.9300
            10  N1a N    20.9049  -22.3298
            11  O6a O    22.1173  -18.8300
BOND        11
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    7  10 1
            11    8  11 2

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  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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