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CHEBI:27452 - styrene

Default Structure
ChEBI IDCHEBI:27452
ChEBI Namestyrene
Stars
DefinitionA vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.
Secondary ChEBI IDsCHEBI:9296, CHEBI:26796
Last Modified5 March 2021
DownloadsMolfile
FormulaC8H8
Net Charge0
Average Mass104.152
Monoisotopic Mass104.06260
SMILESC=Cc1ccccc1
InChIInChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyPPBRXRYQALVLMV-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
ChEBI Ontology
Outgoing Relation(s)
styrene (CHEBI:27452) has role mouse metabolite (CHEBI:75771)
styrene (CHEBI:27452) has role mutagen (CHEBI:25435)
styrene (CHEBI:27452) has role plant metabolite (CHEBI:76924)
styrene (CHEBI:27452) is a styrenes (CHEBI:26799)
styrene (CHEBI:27452) is a vinylarene (CHEBI:51324)
styrene (CHEBI:27452) is a volatile organic compound (CHEBI:134179)
Incoming Relation(s)
4-vinylanisole (CHEBI:235375) has functional parent styrene (CHEBI:27452)
1-phenylethenol (CHEBI:38961) has parent hydride styrene (CHEBI:27452)
4-hydroxystyrene (CHEBI:1883) has parent hydride styrene (CHEBI:27452)
styrene oxide (CHEBI:17907) has parent hydride styrene (CHEBI:27452)
IUPAC Name 
styrene
Synonyms  Source
ethenylbenzeneNIST Chemistry WebBook
phenyletheneNIST Chemistry WebBook
PhenylethyleneKEGG COMPOUND
StyrenNIST Chemistry WebBook
StyreneKEGG COMPOUND
StyrolNIST Chemistry WebBook
UniProt Name  Source
styreneUniProt
Manual XrefsDatabases
c0115UM-BBD
C07083KEGG COMPOUND
C07083KEGG COMPOUND
CPD-1092MetaCyc
HMDB0034240HMDB
StyreneWikipedia
Registry NumbersSources
Reaxys:1071236Reaxys
Gmelin:2991Gmelin
CAS:100-42-5NIST Chemistry WebBook
CAS:100-42-5KEGG COMPOUND
CAS:100-42-5ChemIDplus
Citations