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CHEBI:52739 - FluorX 6-isomer

ChEBI IDCHEBI:52739
ChEBI NameFluorX 6-isomer
Stars
DefinitionThe 6-isomer of FluorX.
Last Modified25 July 2011
SubmitterSteve
DownloadsMolfile
FormulaC27H23NO8
Net Charge0
Average Mass489.480
Monoisotopic Mass489.14237
SMILESO=C(O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1
InChIInChI=1S/C27H23NO8/c29-16-6-9-19-22(13-16)36-23-14-17(30)7-10-20(23)25(19)21-12-15(5-8-18(21)27(34)35)26(33)28-11-3-1-2-4-24(31)32/h5-10,12-14,29H,1-4,11H2,(H,28,33)(H,31,32)(H,34,35)
InChIKeyWSKBRFDZDFZNSQ-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
dye 
ChEBI Ontology
Outgoing Relation(s)
FluorX 6-isomer (CHEBI:52739) has functional parent fluorescin (CHEBI:42492)
FluorX 6-isomer (CHEBI:52739) has role fluorochrome (CHEBI:51217)
FluorX 6-isomer (CHEBI:52739) is a FluorX (CHEBI:52736)
IUPAC Name 
4-[(5-carboxypentyl)carbamoyl]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid