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CHEBI:20832 - 9-phenanthryl sulfate

ChEBI IDCHEBI:20832
ChEBI Name9-phenanthryl sulfate
Stars
Last Modified8 January 2007
DownloadsMolfile
FormulaC14H9O4S
Net Charge-1
Average Mass273.289
Monoisotopic Mass273.02270
SMILESO=S(=O)([O-])Oc1cc2ccccc2c2ccccc12
InChIInChI=1S/C14H10O4S/c15-19(16,17)18-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,(H,15,16,17)/p-1
InChIKeyYOZPSKKPTONSSV-UHFFFAOYSA-M
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
9-phenanthryl sulfate (CHEBI:20832) is a phenanthryl monosulfate (CHEBI:25964)
9-phenanthryl sulfate (CHEBI:20832) is conjugate base of 9-phenanthryl hydrogen sulfate (CHEBI:37461)
Incoming Relation(s)
9-phenanthryl hydrogen sulfate (CHEBI:37461) is conjugate acid of 9-phenanthryl sulfate (CHEBI:20832)
IUPAC Name 
9-phenanthryl sulfate
Synonym  Source
9-phenanthrylsulfateUM-BBD
Manual XrefsDatabases
c0529UM-BBD