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CHEBI:72440 - 6-O-(carboxymethyl)fluorescein ethyl ester

ChEBI IDCHEBI:72440
ChEBI Name6-O-(carboxymethyl)fluorescein ethyl ester
Stars
ASCII Name6-O-(carboxymethyl)fluorescein ethyl ester
DefinitionA carboxylic ester that is the ethyl ester of fluorescein in its ring-opened acid form and substituted on one of the oxygen functions of the xanthene nucleus by a carboxymethyl group.
Last Modified18 May 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H18O7
Net Charge0
Average Mass418.401
Monoisotopic Mass418.10525
SMILESCCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OCC(=O)O)ccc12
InChIInChI=1S/C24H18O7/c1-2-29-24(28)17-6-4-3-5-16(17)23-18-9-7-14(25)11-20(18)31-21-12-15(8-10-19(21)23)30-13-22(26)27/h3-12H,2,13H2,1H3,(H,26,27)
InChIKeyPUGOKYOQJONOGJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
fluorescent probe  A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy.
ChEBI Ontology
Outgoing Relation(s)
6-O-(carboxymethyl)fluorescein ethyl ester (CHEBI:72440) has functional parent fluorescein (acid form) (CHEBI:172923)
6-O-(carboxymethyl)fluorescein ethyl ester (CHEBI:72440) has role fluorescent probe (CHEBI:39442)
6-O-(carboxymethyl)fluorescein ethyl ester (CHEBI:72440) is a dicarboxylic acid monoester (CHEBI:36244)
6-O-(carboxymethyl)fluorescein ethyl ester (CHEBI:72440) is a ethyl ester (CHEBI:23990)
IUPAC Name 
({9-[2-(ethoxycarbonyl)phenyl]-3-oxo-3H-xanthen-6-yl}oxy)acetic acid
Manual XrefsDatabases
EP1749870Patent
US2008275215Patent
Citations