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CHEBI:52861 - pyranine(3−)

ChEBI IDCHEBI:52861
ChEBI Namepyranine(3−)
Stars
ASCII Namepyranine(3-)
DefinitionA pyrene compound having a hydroxy substituent at the 8-position and sulfonate groups in the 1-, 3- and 6-positions.
Last Modified29 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC16H7O10S3
Net Charge-3
Average Mass455.423
Monoisotopic Mass454.92178
SMILESO=S(=O)([O-])c1cc(O)c2ccc3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4ccc1c2c34
InChIInChI=1S/C16H10O10S3/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26)/p-3
InChIKeyOBJOZRVSMLPASY-UHFFFAOYSA-K
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
pyranine(3−) (CHEBI:52861) has parent hydride pyrene (CHEBI:39106)
pyranine(3−) (CHEBI:52861) has role fluorochrome (CHEBI:51217)
pyranine(3−) (CHEBI:52861) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
pyranine (CHEBI:52083) has part pyranine(3−) (CHEBI:52861)
IUPAC Name 
8-hydroxypyrene-1,3,6-trisulfonate
Registry NumbersSources
Beilstein:4057573Beilstein