Benzene (BioCAD00000007135)
blood breath feces saliva bone marrow epidermis leukocyte liver plant natural products
Metabolite Card
Formula: C6H6 (78.0469)
SMILES: C1=CC=CC=C1
Synonyms [en]
benzene; benzol; benzole; Benzine; Benzen; Phenyl hydride
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.
DBLinks
- CAS Registry Number: 71-43-2
- PubChem CID: 241
- ChEBI: 16716
- HMDB: HMDB0001505
- LipidMaps:
- KEGG: C01407
- BioCyc: BENZENE
- NCBI MeSH: Benzene
- Wikipedia: Benzene
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
- WishartLab ClassyFire: [Benzene and substituted derivatives] Benzene and substituted derivatives
- RefMet: [Other benzenes] Other benzenes
- ChEBI: [CHEBI:16716] benzene
| 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 |
Taxonomy Source
- Capsicum annuum [ncbi taxid: 4072]
- Carthamus tinctorius [ncbi taxid: 4222]
- Curcuma longa [ncbi taxid: 136217]
- Dracaena cochinchinensis [ncbi taxid: 593754]
- Fragaria x ananassa [ncbi taxid: 3747]
- Homo sapiens [ncbi taxid: 9606]
- 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 |