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CHEBI:20470 - 4-phenanthryl sulfate

ChEBI IDCHEBI:20470
ChEBI Name4-phenanthryl sulfate
Stars
Last Modified8 January 2007
DownloadsMolfile
FormulaC14H9O4S
Net Charge-1
Average Mass273.289
Monoisotopic Mass273.02270
SMILESO=S(=O)([O-])Oc1cccc2ccc3ccccc3c12
InChIInChI=1S/C14H10O4S/c15-19(16,17)18-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9H,(H,15,16,17)/p-1
InChIKeyNGHHMZVUHHGUQB-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)
4-phenanthryl sulfate (CHEBI:20470) is a phenanthryl monosulfate (CHEBI:25964)
4-phenanthryl sulfate (CHEBI:20470) is conjugate base of 4-phenanthryl hydrogen sulfate (CHEBI:37460)
Incoming Relation(s)
4-phenanthryl hydrogen sulfate (CHEBI:37460) is conjugate acid of 4-phenanthryl sulfate (CHEBI:20470)
IUPAC Name 
4-phenanthryl sulfate
Synonym  Source
4-phenanthrylsulfateUM-BBD
Manual XrefsDatabases
c0539UM-BBD