CHEBI:183839 - Bromocresolgreen

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bromocresolgreen
ChEBI ID CHEBI:183839
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H14Br4O5S
Net Charge 0
Average Mass 698.010
Monoisotopic Mass 693.72955
InChI InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3
InChIKey FRPHFZCDPYBUAU-UHFFFAOYSA-N
SMILES BrC1=C(C(C2(OS(=O)(=O)C=3C2=CC=CC3)C=4C(=C(Br)C(O)=C(Br)C4)C)=CC(Br)=C1O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). of strain C57BL [EFO:0005181] See: MetaboLights Study
ChEBI Ontology
Outgoing Bromocresolgreen (CHEBI:183839) is a benzofurans (CHEBI:35259)
IUPAC Name
2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methylphenol
Manual Xrefs Databases
6209 ChemSpider
D78150 KEGG DRUG
View more database links
Registry Number Type Source
76-60-8 CAS Registry Number ChemIDplus