CHEBI:17907 - styrene oxide

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ChEBI Name styrene oxide ChEBI ID CHEBI:17907 Definition An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:15124, CHEBI:26798, CHEBI:9298 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C8H8O Net Charge 0 Average Mass 120.14852 Monoisotopic Mass 120.05751 InChI InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2 InChIKey AWMVMTVKBNGEAK-UHFFFAOYSA-N SMILES C1OC1c1ccccc1 Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing styrene oxide (CHEBI:17907) has parent hydride styrene (CHEBI:27452) styrene oxide (CHEBI:17907) has role human xenobiotic metabolite (CHEBI:76967) styrene oxide (CHEBI:17907) is a epoxide (CHEBI:32955) Incoming (R)-styrene oxide (CHEBI:45389) is a styrene oxide (CHEBI:17907) (S)-styrene oxide (CHEBI:51014) is a styrene oxide (CHEBI:17907) IUPAC Name 2-phenyloxirane Synonyms Sources (epoxyethyl)benzene NIST Chemistry WebBook 1,2-epoxy-1-phenylethane ChemIDplus 1,2-epoxyethylbenzene ChemIDplus 1-phenyl-1,2-epoxyethane ChemIDplus 1-phenyloxirane ChemIDplus α,β-epoxystyrene NIST Chemistry WebBook epoxyethylbenzene ChemIDplus epoxystyrene ChemIDplus phenethylene oxide ChemIDplus phenyl oxirane ChemIDplus phenylethylene oxide ChemIDplus phenyloxirane ChemIDplus styrene 7,8-oxide NIST Chemistry WebBook styrene epoxide ChemIDplus Styrene oxide KEGG COMPOUND styrene oxide UniProt styrene-7,8-oxide ChemIDplus Styrene-7,8-oxide KEGG COMPOUND styryl oxide ChemIDplus Manual Xrefs Databases 2-Phenyloxirane MetaCyc c0037 UM-BBD C02083 KEGG COMPOUND Styrene_oxide Wikipedia View more database links Registry Numbers Types Sources 108582 Beilstein Registry Number Beilstein 108582 Reaxys Registry Number Reaxys 50213 Gmelin Registry Number Gmelin 96-09-3 CAS Registry Number KEGG COMPOUND 96-09-3 CAS Registry Number NIST Chemistry WebBook 96-09-3 CAS Registry Number ChemIDplus Citations Types Sources 11551533 PubMed citation Europe PMC 19245253 PubMed citation Europe PMC 24320693 PubMed citation Europe PMC Last Modified 21 August 2017