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CHEBI:52084 - Indo-1 dye

ChEBI IDCHEBI:52084
ChEBI NameIndo-1 dye
Stars
Last Modified6 March 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC32H31N3O12
Net Charge0
Average Mass649.609
Monoisotopic Mass649.19077
SMILESCc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(-c3cc4ccc(C(=O)O)cc4n3)ccc2N(CC(=O)O)CC(=O)O)c1
InChIInChI=1S/C32H31N3O12/c1-18-2-6-24(34(14-28(36)37)15-29(38)39)26(10-18)46-8-9-47-27-13-20(5-7-25(27)35(16-30(40)41)17-31(42)43)22-11-19-3-4-21(32(44)45)12-23(19)33-22/h2-7,10-13,33H,8-9,14-17H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)
InChIKeyAMHAQOBUZCQMHN-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
Indo-1 dye (CHEBI:52084) has role fluorochrome (CHEBI:51217)
Indo-1 dye (CHEBI:52084) is a indoles (CHEBI:24828)
IUPAC Name 
2-(4-[bis(carboxymethyl)amino]-3-{[2-({2-[bis(carboxymethyl)amino]-5-methylphenyl}oxy)ethyl]oxy}phenyl)-1H-indole-6-carboxylic acid
Synonym  Source
Indo 1ChemIDplus
Registry NumbersSources
CAS:96314-96-4ChemIDplus