EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:25953 - 3,4-phenanthrenediyl bissulfate

ChEBI IDCHEBI:25953
ChEBI Name3,4-phenanthrenediyl bissulfate
Stars
Last Modified23 March 2007
DownloadsMolfile
FormulaC14H8O8S2
Net Charge-2
Average Mass368.344
Monoisotopic Mass367.96716
SMILESO=S(=O)([O-])Oc1ccc2ccc3ccccc3c2c1OS(=O)(=O)[O-]
InChIInChI=1S/C14H10O8S2/c15-23(16,17)21-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)22-24(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)/p-2
InChIKeyGSZDNVOCMMHYTL-UHFFFAOYSA-L
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)
3,4-phenanthrenediyl bissulfate (CHEBI:25953) has functional parent phenanthrene-3,4-diol (CHEBI:16760)
3,4-phenanthrenediyl bissulfate (CHEBI:25953) is a phenanthrenediyl bissulfate (CHEBI:25958)
IUPAC Name 
phenanthrene-3,4-diyl bissulfate
Synonyms  Source
3,4-phenanthryl-disulfateUM-BBD
phenanthrene-3,4-dihydrodiolsulfate conjugateUM-BBD
Manual XrefsDatabases
c0528UM-BBD