CHEBI:183848 - 1-Methylpyrene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-Methylpyrene
ChEBI ID CHEBI:183848
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H12
Net Charge 0
Average Mass 216.283
Monoisotopic Mass 216.09390
InChI InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3
InChIKey KBSPJIWZDWBDGM-UHFFFAOYSA-N
SMILES C1=2C=3C=4C=CC1=C(C=CC2C=CC3C=CC4)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). of strain C57BL [EFO:0005181] See: MetaboLights Study
ChEBI Ontology
Outgoing 1-Methylpyrene (CHEBI:183848) is a pyrenes (CHEBI:59659)
IUPAC Name
1-methylpyrene
Manual Xref Database
16043 ChemSpider
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Registry Number Type Source
2381-21-7 CAS Registry Number ChemIDplus