KEGG   COMPOUND: C00568Help
Entry
C00568                      Compound                               

Name
4-Aminobenzoate;
ABEE;
4-Aminobenzoic acid;
p-Aminobenzoate
Formula
C7H7NO2
Exact mass
137.0477
Mol weight
137.136
Structure
Mol fileKCF fileDB search
Remark
Same as: D02456
Reaction
Pathway
map00627  Aminobenzoate degradation
map00790  Folate biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.7.1.-         1.14.12.-       1.14.13.27      2.4.2.54        
2.5.1.15        4.1.1.24        4.1.3.38
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C00568  4-Aminobenzoate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D02 EMOLLIENTS AND PROTECTIVES
   D02B PROTECTIVES AGAINST UV-RADIATION
    D02BA Protectives against UV-radiation for topical use
     D02BA01 Aminobenzoic acid
      D02456  Aminobenzoic acid (USP)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D02456  Aminobenzoic acid (USP)
    SCN2A
     D02456  Aminobenzoic acid (USP)
    SCN3A
     D02456  Aminobenzoic acid (USP)
    SCN4A
     D02456  Aminobenzoic acid (USP)
    SCN5A
     D02456  Aminobenzoic acid (USP)
    SCN8A
     D02456  Aminobenzoic acid (USP)
    SCN9A
     D02456  Aminobenzoic acid (USP)
    SCN10A
     D02456  Aminobenzoic acid (USP)
    SCN11A
     D02456  Aminobenzoic acid (USP)
BRITE hierarchy
Other DBs
CAS: 150-13-0
PubChem: 3847
ChEBI: 17836 30753
ChEMBL: CHEMBL542
KNApSAcK: C00001401
PDB-CCD: PAB[PDBj]
3DMET: B00134
NIKKAJI: J5.852A
KCF data Show

ATOM        10
            1   C8x C    27.1600  -25.6200
            2   C8x C    27.1600  -27.0200
            3   C8y C    28.3724  -27.7200
            4   C8x C    29.5849  -27.0200
            5   C8x C    29.5849  -25.6200
            6   C8y C    28.3724  -24.9200
            7   C6a C    28.3724  -23.5202
            8   O6a O    27.1432  -22.8103
            9   O6a O    29.5680  -22.8298
            10  N1a N    28.3724  -29.1198
BOND        10
            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     6   7 1
            8     7   8 2
            9     7   9 1
            10    3  10 1

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