KEGG   COMPOUND: C20698Help
Entry
C20698                      Compound                               

Name
2-Aminoethyl diphenylborinate;
2-APB
Formula
C14H16BNO
Exact mass
225.1325
Mol weight
225.0939
Structure
Mol fileKCF fileDB search
Pathway
map04750  Inflammatory mediator regulation of TRP channels
Other DBs
CAS: 524-95-8
PubChem: 172232418
ChEBI: 131184
ChEMBL: CHEMBL169233
PDB-CCD: FZ4[PDBj]
KCF data Show

ATOM        17
            1   C8x C    10.5700  -14.4900
            2   C8x C    10.5700  -15.8900
            3   C8x C    11.7824  -16.5900
            4   C8x C    12.9949  -15.8900
            5   C8y C    12.9949  -14.4900
            6   C8x C    11.7824  -13.7900
            7   Z   B    14.2260  -13.7790
            8   C8y C    15.4312  -14.4747
            9   C8x C    15.4316  -15.8896
            10  C8x C    16.6442  -16.5893
            11  C8x C    17.8565  -15.8889
            12  C8x C    17.8560  -14.4739
            13  C8x C    16.6434  -13.7743
            14  O2a O    14.2257  -12.3901
            15  C1b C    15.4262  -11.6966
            16  C1b C    15.4261  -10.2902
            17  N1a N    16.6189   -9.6013
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    7  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1

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