EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:34533 - Amaranth

Default Structure
ChEBI IDCHEBI:34533
ChEBI NameAmaranth
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H11N2O10S3.3Na
Net Charge0
Average Mass604.483
Monoisotopic Mass603.92689
SMILESO=S(=O)([O-])c1ccc2c(/N=N/c3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+]
InChIInChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-21+;;;
InChIKeyWLDHEUZGFKACJH-ZRUFZDNISA-K
ChEBI Ontology
Outgoing Relation(s)
Amaranth (CHEBI:34533) is a organic molecular entity (CHEBI:50860)
Synonym  Source
AmaranthKEGG COMPOUND
Manual XrefsDatabases
C14760KEGG COMPOUND
Registry NumbersSources
CAS:915-67-3KEGG COMPOUND