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CHEBI:37459 - 3-phenanthryl hydrogen sulfate

ChEBI IDCHEBI:37459
ChEBI Name3-phenanthryl hydrogen sulfate
Stars
Last Modified5 January 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H10O4S
Net Charge0
Average Mass274.297
Monoisotopic Mass274.02998
SMILESO=S(=O)(O)Oc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C14H10O4S/c15-19(16,17)18-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H,(H,15,16,17)
InChIKeyDFCZQECVFFVKDE-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)
3-phenanthryl hydrogen sulfate (CHEBI:37459) is a phenanthryl hydrogen sulfate (CHEBI:37457)
3-phenanthryl hydrogen sulfate (CHEBI:37459) is conjugate acid of 3-phenanthryl sulfate (CHEBI:20185)
Incoming Relation(s)
3-phenanthryl sulfate (CHEBI:20185) is conjugate base of 3-phenanthryl hydrogen sulfate (CHEBI:37459)
IUPAC Names 
3-phenanthryl hydrogen sulfate
phenanthren-3-yl hydrogen sulfate
Registry NumbersSources
Beilstein:2537525Beilstein