EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:37458 - 2-phenanthryl hydrogen sulfate

ChEBI IDCHEBI:37458
ChEBI Name2-phenanthryl hydrogen sulfate
Stars
Last Modified5 January 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H10O4S
Net Charge0
Average Mass274.297
Monoisotopic Mass274.02998
SMILESO=S(=O)(O)Oc1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C14H10O4S/c15-19(16,17)18-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H,(H,15,16,17)
InChIKeyYCNZBVHCFDPEAJ-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)
2-phenanthryl hydrogen sulfate (CHEBI:37458) is a phenanthryl hydrogen sulfate (CHEBI:37457)
2-phenanthryl hydrogen sulfate (CHEBI:37458) is conjugate acid of 2-phenanthryl sulfate (CHEBI:19761)
Incoming Relation(s)
2-phenanthryl sulfate (CHEBI:19761) is conjugate base of 2-phenanthryl hydrogen sulfate (CHEBI:37458)
IUPAC Names 
2-phenanthryl hydrogen sulfate
phenanthren-2-yl hydrogen sulfate
Registry NumbersSources
Beilstein:2536510Beilstein