CHEBI:25956 - 9,10-phenanthrenediyl bissulfate

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ChEBI Name 9,10-phenanthrenediyl bissulfate
ChEBI ID CHEBI:25956
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H8O8S2
Net Charge -2
Average Mass 368.34052
Monoisotopic Mass 367.96716
InChI InChI=1S/C14H10O8S2/c15-23(16,17)21-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)22-24(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)/p-2
InChIKey WTIHMYOACRETPQ-UHFFFAOYSA-L
SMILES [O-]S(=O)(=O)Oc1c(OS([O-])(=O)=O)c2ccccc2c2ccccc12
Roles Classification
Biological Role(s): 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.
(via phenanthrenes )
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ChEBI Ontology
Outgoing 9,10-phenanthrenediyl bissulfate (CHEBI:25956) has functional parent phenanthrene-9,10-diol (CHEBI:20814)
9,10-phenanthrenediyl bissulfate (CHEBI:25956) is a phenanthrenediyl bissulfate (CHEBI:25958)
IUPAC Name
phenanthrene-9,10-diyl bissulfate
Synonyms Sources
9,10-phenanthryl-disulfate UM-BBD
phenanthrene-9,10-dihydrodiolsulfate conjugate UM-BBD
Manual Xref Database
c0530 UM-BBD
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Last Modified
23 March 2007