CHEBI:34533 - Amaranth

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Amaranth
ChEBI ID CHEBI:34533
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H11N2O10S3.3Na
Net Charge 0
Average Mass 604.477
Monoisotopic Mass 603.92689
InChI InChI=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+;;;
InChIKey WLDHEUZGFKACJH-ZRUFZDNISA-K
SMILES [Na+].[Na+].[Na+].Oc1c(cc2cc(ccc2c1\N=N\c1ccc(c2ccccc12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
ChEBI Ontology
Outgoing Amaranth (CHEBI:34533) is a organic molecular entity (CHEBI:50860)
Synonym Source
Amaranth KEGG COMPOUND
Manual Xref Database
C14760 KEGG COMPOUND
View more database links
Registry Number Type Source
915-67-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014