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CHEBI:52737 - FluorX 5-isomer

ChEBI IDCHEBI:52737
ChEBI NameFluorX 5-isomer
Stars
DefinitionThe 5-isomer of FluorX.
Last Modified25 July 2011
SubmitterSteve
DownloadsMolfile
FormulaC27H23NO8
Net Charge0
Average Mass489.480
Monoisotopic Mass489.14237
SMILESO=C(O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1
InChIInChI=1S/C27H23NO8/c29-16-6-9-19-22(13-16)36-23-14-17(30)7-10-20(23)25(19)18-8-5-15(12-21(18)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)
InChIKeyHAKKVJHTMKXGOT-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 5-isomer (CHEBI:52737) has functional parent fluorescin (CHEBI:42492)
FluorX 5-isomer (CHEBI:52737) has role fluorochrome (CHEBI:51217)
FluorX 5-isomer (CHEBI:52737) is a FluorX (CHEBI:52736)
IUPAC Name 
5-[(5-carboxypentyl)carbamoyl]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid