KEGG   COMPOUND: C16591
Entry
C16591                      Compound                               
Name
3-Carbamoyl-2-phenylpropionic acid
Formula
C10H11NO4
Exact mass
209.0688
Mol weight
209.20
Structure
Reaction
R08307 R08311
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
1.2.1.5
Other DBs
CAS: 139262-66-1
PubChem: 51090918
ChEBI: 80589
NIKKAJI: J555.956A
LinkDB
KCF data

ATOM        15
            1   C1c C    26.1100  -21.2100
            2   C8y C    26.1100  -19.8100
            3   C1b C    24.9200  -21.9100
            4   C6a C    27.3000  -21.9100
            5   C8x C    24.9200  -19.1100
            6   C8x C    27.3000  -19.1100
            7   O7a O    23.6600  -21.2100
            8   O6a O    28.5600  -21.2100
            9   C8x C    24.9200  -17.7100
            10  C8x C    27.3000  -17.7100
            11  C7a C    22.4700  -21.9100
            12  C8x C    26.1100  -17.0100
            13  N1a N    21.2800  -21.2100
            14  O6a O    22.4700  -23.3100
            15  O6a O    27.3000  -23.3100
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    9  12 2
            12   11  13 1
            13   11  14 2
            14   10  12 1
            15    4  15 1

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