Metabolite Card

Formula: C6H6 (78.0469)
SMILES: C1=CC=CC=C1

Synonyms [en]

benzene; benzol; benzole; Benzine; Benzen; Phenyl hydride

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Benzene. 数据之源,洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000007135). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

Benzene is an organic chemical compound with the molecular formula C6H6. The benzene molecule is composed of six carbon atoms joined in a planar ring with one hydrogen atom attached to each. Because it contains only carbon and hydrogen atoms, benzene is classed as a hydrocarbon. Benzene, also known as benzol or [6]annulene, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene is a natural constituent of crude oil and is one of the elementary petrochemicals. Due to the cyclic continuous pi bonds between the carbon atoms, benzene is classed as an aromatic hydrocarbon. It is sometimes abbreviated PhH. Benzene is a colorless and highly flammable liquid with a sweet smell, and is partially responsible for the aroma around petrol (gasoline) stations. It is used primarily as a precursor to the manufacture of chemicals with more complex structure, such as ethylbenzene and cumene, of which billions of kilograms are produced annually. Although a major industrial chemical, benzene finds limited use in consumer items because of its toxicity. Benzene is formally rated as a carcinogen (by IARC 1) and is also a potentially toxic compound. Benzene has been found to be associated with several diseases such as autism and pervasive developmental disorder not otherwise specified.

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 2396-01-2
  • CAS Registry Number: 25053-22-9
  • CAS Registry Number: 26181-88-4
  • CAS Registry Number: 3355-34-8
  • CAS Registry Number: 54682-86-9
  • CAS Registry Number: 62485-97-6
  • CAS Registry Number: 71-43-2
  • PubChem: 241
  • ChEBI: ChEBI:16716
  • HMDB: HMDB0001505
  • HMDB: HMDB01505
  • KEGG: C01407
  • BioCyc: BENZENE
  • NCBI MeSH: Benzene
  • Wikipedia: Benzene
  • RefMet: RM0049371
  • MoNA: HMDB0001505_c_ms_99692
  • MoNA: HMDB0001505_c_ms_99693
  • MoNA: HMDB0001505_c_ms_99694
  • MoNA: HMDB0001505_c_ms_99695
  • MoNA: JP002103
  • MoNA: JP002347
  • MoNA: JP008793
  • MoNA: JP012242
  • MoNA: MSJ00090
  • Metlin: METLIN_6285
  • Coconut NaturalProduct: CNP0140642.0

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R03543 1.14.12.3 benzene,NADH:oxygene 1,2-oxidoreductase
KEGG:R05536 C11352<=>C01407 + 2 C00698
KEGG:R10042 1.14.13.244 benzene,NADH:oxygen oxidoreductase
Rhea:RHEA:13814 1.14.12.3 benzene + NADH + O2 + H+ => cis-1,2-dihydrobenzene-1,2-diol + NAD+
Rhea:RHEA:13815 1.14.12.3 cis-1,2-dihydrobenzene-1,2-diol + NAD+ => benzene + NADH + O2 + H+
Rhea:RHEA:13816 1.14.12.3 benzene + NADH + O2 + H+ <=> cis-1,2-dihydrobenzene-1,2-diol + NAD+
BioCyc:BENZENE-12-DIOXYGENASE-RXN 1.14.12.3 PROTON + OXYGEN-MOLECULE + NADH + BENZENE --> NAD + CPD-288
BioCyc:R581-RXN 4.99.1.2 (Aceto)phenylmercury lyase
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Organism Source

Taxonomy Source

  1. Capsicum annuum [ncbi taxid: 4072]
  2. Carthamus tinctorius [ncbi taxid: 4222]
  3. Curcuma longa [ncbi taxid: 136217]
  4. Dracaena cochinchinensis [ncbi taxid: 593754]
  5. Fragaria x ananassa [ncbi taxid: 3747]
  6. Homo sapiens [ncbi taxid: 9606]
  7. Humulus lupulus [ncbi taxid: 3486]

Pathway Synthetic

pathway id name
BioCyc:META_PWY-5450 benzene degradation
BioCyc:AURANTIMONAS_P641-PWY phenylmercury acetate degradation
BioCyc:SYNEL_P641-PWY phenylmercury acetate degradation
BioCyc:CORYNE_P641-PWY phenylmercury acetate degradation
BioCyc:META_P641-PWY phenylmercury acetate degradation
BioCyc:THAPS_P641-PWY phenylmercury acetate degradation
BioCyc:GCF_000013425_P641-PWY phenylmercury acetate degradation
Reactome:R-CEL-211999 CYP2E1 reactions
Reactome:R-DDI-211999 CYP2E1 reactions
Reactome:R-BTA-1430728 Metabolism
Reactome:R-BTA-211945 Phase I - Functionalization of compounds
Reactome:R-BTA-211981 Xenobiotics
Reactome:R-CEL-211859 Biological oxidations
Reactome:R-CEL-211981 Xenobiotics
Reactome:R-CFA-1430728 Metabolism
Reactome:R-CFA-211999 CYP2E1 reactions
Reactome:R-DRE-211897 Cytochrome P450 - arranged by substrate type
Reactome:R-DDI-211859 Biological oxidations
Reactome:R-DDI-211981 Xenobiotics
Reactome:R-GGA-211999 CYP2E1 reactions
View All Pathways