EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228538 - 1-Aminopyrene

ChEBI IDCHEBI:228538
ChEBI Name1-Aminopyrene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H11N
Net Charge0
Average Mass217.271
Monoisotopic Mass217.08915
SMILESNc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2
InChIKeyYZVWKHVRBDQPMQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
1-Aminopyrene (CHEBI:228538) is a pyrenes (CHEBI:59659)
IUPAC Name 
pyren-1-amine
Manual XrefsDatabases
APPDBeChem
HMDB0041793HMDB
14613ChemSpider