KEGG COMPOUND: C00556

COMPOUND: C00556

Entry

C00556                      Compound

Name

Benzyl alcohol;
alpha-Hydroxytoluene;
Benzenemethanol;
Phenylmethanol;
Phenylcarbinol;
Hydroxymethylbenzene

Formula

C7H8O

Exact mass

108.0575

Mol weight

108.1378

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]

3DMET:

B00130

NIKKAJI:

J4.009F

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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