KEGG   COMPOUND: C16586Help
Entry
C16586                      Compound                               

Name
2-Phenyl-1,3-propanediol monocarbamate
Formula
C10H13NO3
Exact mass
195.0895
Mol weight
195.2151
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00982  Drug metabolism - cytochrome P450
Enzyme
Other DBs
CAS: 25451-53-0
PubChem: 51090913
ChEBI: 80585
ChEMBL: CHEMBL2259639
NIKKAJI: J440.350I
KCF data Show

ATOM        14
            1   C1c C    26.1038  -21.2272
            2   C8y C    26.1154  -19.8329
            3   C1b C    24.8904  -21.9213
            4   C1b C    27.3171  -21.9273
            5   C8x C    24.9021  -19.1272
            6   C8x C    27.3288  -19.1329
            7   O7a O    23.6829  -21.2213
            8   O1a O    28.5303  -21.2330
            9   C8x C    24.9021  -17.7215
            10  C8x C    27.3346  -17.7272
            11  C7a C    22.4696  -21.9097
            12  C8x C    26.1213  -17.0272
            13  N1a N    21.2621  -21.2156
            14  O6a O    22.4637  -23.3156
BOND        14
            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 1
            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

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