KEGG   COMPOUND: C12029
Entry
C12029                      Compound                               
Name
(E)-2-Butenyl-4-methyl-threonine;
2-Butenyl-4-methylthreonine
Formula
C9H17NO3
Exact mass
187.1208
Mol weight
187.2362
Structure
Other DBs
CAS: 81135-57-1
PubChem: 14185
ChEBI: 29458
NIKKAJI: J704.920J
LinkDB
KCF data

ATOM        13
            1   C1a C    32.9126  -19.9009
            2   C2b C    31.6980  -19.2017
            3   C2b C    30.4832  -19.8938
            4   C1b C    29.2684  -19.1946
            5   C1c C    28.0537  -19.8868
            6   C1c C    26.8389  -19.1877
            7   C1c C    25.6241  -19.8797
            8   C6a C    24.4165  -19.1805
            9   O6a O    23.2018  -19.8726
            10  O6a O    24.4195  -17.7752
            11  N1a N    25.6211  -21.2852
            12  O1a O    26.8420  -17.7893
            13  C1a C    28.0507  -21.2852
BOND        12
            1     5   6 1
            2     6   7 1
            3     1   2 1
            4     7   8 1
            5     8   9 1
            6     2   3 2
            7     8  10 2
            8     7  11 1 #Down
            9     3   4 1
            10    6  12 1 #Down
            11    4   5 1
            12    5  13 1 #Up

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