KEGG   COMPOUND: C04114Help
Entry
C04114                      Compound                               

Name
(E)-4-(Trimethylammonio)but-2-enoate;
Crotono-betaine;
Crotonobetaine
Formula
C7H13NO2
Exact mass
143.0946
Mol weight
143.1836
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map02010  ABC transporters
Enzyme
Other DBs
PubChem: 6803
ChEBI: 17237 1774
ChEMBL: CHEMBL3234369
3DMET: B00681
NIKKAJI: J526.836B
LinkDB All DBs
KCF data Show

ATOM        10
            1   C1b C    38.5823  -21.7118
            2   N1d N    39.7333  -22.4810 #+
            3   C2b C    37.3502  -22.3306
            4   C1a C    39.7855  -23.8634
            5   C1a C    41.0521  -22.9148
            6   C2b C    36.1299  -21.7059
            7   C6a C    34.9788  -22.4579
            8   O6a O    33.7121  -21.8389 #-
            9   O6a O    34.9730  -23.7535
            10  C1a C    41.0742  -21.7869
BOND        9
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     6   7 1
            7     7   8 1
            8     7   9 2
            9     2  10 1

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