3,4-phenanthrenediyl bissulfate (CHEBI:25953)

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ChEBI Name	3,4-phenanthrenediyl bissulfate

ChEBI ID	CHEBI:25953

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C14H8O8S2

Net Charge

-2

Average Mass

368.34052

Monoisotopic Mass

367.96716

InChI

InChI=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

InChIKey

GSZDNVOCMMHYTL-UHFFFAOYSA-L

SMILES

[O-]S(=O)(=O)Oc1ccc2ccc3ccccc3c2c1OS([O-])(=O)=O

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 )

ChEBI Ontology
Outgoing	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	Sources
3,4-phenanthryl-disulfate	UM-BBD
phenanthrene-3,4-dihydrodiolsulfate conjugate	UM-BBD

Last Modified

23 March 2007