CHEBI:52666 - Alexa Fluor 514 meta-isomer

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Alexa Fluor 514 meta-isomer
ChEBI ID CHEBI:52666
ChEBI ASCII Name Alexa Fluor 514 meta-isomer
Definition The 5-succinimidyloxycarbonyl isomer of Alexa Fluor 514.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H27N3O13S2
Net Charge 0
Average Mass 713.68800
Monoisotopic Mass 713.09853
InChI InChI=1S/C31H27N3O13S2/c1-13-12-31(2,3)33-24-17(13)11-19-23(15-5-4-14(10-18(15)29(37)38)30(39)47-34-21(35)8-9-22(34)36)16-6-7-20(32)27(48(40,41)42)25(16)46-26(19)28(24)49(43,44)45/h4-7,10-11,13,32-33H,8-9,12H2,1-3H3,(H,37,38)(H,40,41,42)(H,43,44,45)
InChIKey MDPLSWUTRXKBKS-UHFFFAOYSA-N
SMILES CC1CC(C)(C)Nc2c1cc1c(-c3ccc(cc3C(O)=O)C(=O)ON3C(=O)CCC3=O)c3ccc(=[NH2+])c(c3oc1c2S(O)(=O)=O)S([O-])(=O)=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
(via Alexa Fluor 514 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Alexa Fluor 514 meta-isomer (CHEBI:52666) has role fluorochrome (CHEBI:51217)
Alexa Fluor 514 meta-isomer (CHEBI:52666) is a Alexa Fluor 514 (CHEBI:52664)
IUPAC Name
6-(2-carboxy-4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)-9-iminio-2,2,4-trimethyl-12-sulfo-1,3,4,9-tetrahydro-2H-chromeno[3,2-g]quinoline-10-sulfonate
Last Modified
10 August 2009
General Comment
2009-07-08 The numbering of the 5-succinimidyloxycarbonyl substituent on the phenyl ring is based upon the numbering of the ring-closed lactone tautomer of the fluoroscein skeleton.