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CHEBI:37456 - 1-phenanthryl hydrogen sulfate

Default Structure
ChEBI IDCHEBI:37456
ChEBI Name1-phenanthryl hydrogen sulfate
Stars
Last Modified5 January 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H10O4S
Net Charge0
Average Mass274.297
Monoisotopic Mass274.02998
SMILESO=S(=O)(O)Oc1cccc2c1ccc1ccccc12
InChIInChI=1S/C14H10O4S/c15-19(16,17)18-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H,(H,15,16,17)
InChIKeyKSLTXOSGWUKDQR-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)
1-phenanthryl hydrogen sulfate (CHEBI:37456) is a phenanthryl hydrogen sulfate (CHEBI:37457)
1-phenanthryl hydrogen sulfate (CHEBI:37456) is conjugate acid of 1-phenanthryl sulfate (CHEBI:19083)
Incoming Relation(s)
1-phenanthryl sulfate (CHEBI:19083) is conjugate base of 1-phenanthryl hydrogen sulfate (CHEBI:37456)
IUPAC Names 
1-phenanthryl hydrogen sulfate
phenanthren-1-yl hydrogen sulfate
Registry NumbersSources
Beilstein:2537488Beilstein