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CHEBI:37460 - 4-phenanthryl hydrogen sulfate

ChEBI IDCHEBI:37460
ChEBI Name4-phenanthryl hydrogen sulfate
Stars
Last Modified8 January 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H10O4S
Net Charge0
Average Mass274.297
Monoisotopic Mass274.02998
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)
InChIKeyNGHHMZVUHHGUQB-UHFFFAOYSA-N
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 hydrogen sulfate (CHEBI:37460) is a phenanthryl hydrogen sulfate (CHEBI:37457)
4-phenanthryl hydrogen sulfate (CHEBI:37460) is conjugate acid of 4-phenanthryl sulfate (CHEBI:20470)
Incoming Relation(s)
4-phenanthryl sulfate (CHEBI:20470) is conjugate base of 4-phenanthryl hydrogen sulfate (CHEBI:37460)
IUPAC Names 
4-phenanthryl hydrogen sulfate
phenanthren-4-yl hydrogen sulfate
Registry NumbersSources
Beilstein:2537431Beilstein