KEGG   COMPOUND: C12110Help
Entry
C12110                      Compound                               

Name
Gabaculine;
3-Amino-2,3-dihydrobenzoic acid
Formula
C7H9NO2
Exact mass
139.0633
Mol weight
139.1519
Structure
Mol fileKCF fileDB search
Brite
Target-based classification of compounds [BR:br08010]
 Enzymes
  Transferases
   4-aminobutyrate aminotransferase
    C12110  Gabaculine
BRITE hierarchy
Other DBs
CAS: 87980-11-8
PubChem: 14257
ChEBI: 29585
ChEMBL: CHEMBL1394922
NIKKAJI: J12.403F
KCF data Show

ATOM        10
            1   C2x C    17.5025  -14.6416
            2   C2x C    16.3074  -15.3711
            3   C2x C    16.3431  -16.7735
            4   C1y C    17.5703  -17.4402
            5   C1x C    18.7654  -16.7107
            6   C2y C    18.7334  -15.3145
            7   C6a C    19.9216  -14.5735
            8   O6a O    21.1572  -15.2320
            9   O6a O    19.9441  -13.1740
            10  N1a N    17.5354  -18.8399
BOND        10
            1     4   5 1
            2     5   6 1
            3     6   1 2
            4     6   7 1
            5     1   2 1
            6     7   8 1
            7     2   3 2
            8     7   9 2
            9     3   4 1
            10    4  10 1

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