KEGG   COMPOUND: C00556
Entry
C00556                      Compound                               
Name
Benzyl alcohol;
alpha-Hydroxytoluene;
Benzenemethanol;
Phenylmethanol;
Phenylcarbinol;
Hydroxymethylbenzene
Formula
C7H8O
Exact mass
108.0575
Mol weight
108.14
Structure
Remark
Same as: D00077
Reaction
R01763 R02550 R02551 R02552 R03612 R09528 R10473
Pathway
map00623  Toluene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00538  Toluene degradation, toluene => benzoate
Enzyme
1.1.1.90        1.14.13.-       1.14.15.26      2.3.1.196       
2.3.1.224       3.1.1.70        3.5.1.58        3.5.1.64
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P03 ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
   P03A ECTOPARASITICIDES, INCL. SCABICIDES
    P03AX Other ectoparasiticides, incl. scabicides
     P03AX06 Benzyl alcohol
      D00077  Benzyl alcohol (JP18/NF/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Benzyl alcohol
    D00077  Benzyl alcohol (JP18/NF/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00077  Benzyl alcohol
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D00077
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D00077
Other DBs
CAS: 100-51-6
PubChem: 3836
ChEBI: 17987
KNApSAcK: C00029811
PDB-CCD: 010[PDBj]
NIKKAJI: J4.009F
LinkDB
KCF data

ATOM        8
            1   C8y C    21.1966  -17.0266
            2   C8x C    19.9953  -17.7167
            3   C8x C    22.4173  -17.7167
            4   C1b C    21.1903  -15.6334
            5   C8x C    19.9953  -19.1226
            6   C8x C    22.4173  -19.1226
            7   O1a O    22.3980  -14.9369
            8   C8x C    21.1966  -19.8383
BOND        8
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     6   8 1

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