KEGG   COMPOUND: C07111Help
Entry
C07111                      Compound                               

Name
Ethylbenzene;
Phenylethane;
Ethylbenzol;
Ethylenzene
Formula
C8H10
Exact mass
106.0783
Mol weight
106.165
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00642  Ethylbenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.14.12.12      1.14.12.-       1.17.99.2       1.17.-.-
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C07111  Ethylbenzene
BRITE hierarchy
Other DBs
CAS: 100-41-4
PubChem: 9322
ChEBI: 16101
ChEMBL: CHEMBL371561
PDB-CCD: PYJ[PDBj]
3DMET: B01071
NIKKAJI: J3.589K
KCF data Show

ATOM        8
            1   C8y C    28.8986  -16.6090
            2   C8x C    27.6826  -17.3072
            3   C8x C    30.1091  -17.3072
            4   C1b C    28.8986  -15.2124
            5   C8x C    27.6826  -18.7038
            6   C8x C    30.1091  -18.7038
            7   C1a C    30.1148  -14.5084
            8   C8x C    28.8986  -19.4080
BOND        8
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   8 2

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