CHEBI:82522 - Ponceau SX

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ponceau SX
ChEBI ID CHEBI:82522
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H14N2Na2O7S2
Net Charge 0
Average Mass 480.42200
Monoisotopic Mass 480.004
InChI InChI=1S/C18H16N2O7S2.2Na/c1-10-7-11(2)17(28(22,23)24)9-14(10)19-20-15-8-16(21)12-5-3-4-6-13(12)18(15)29(25,26)27;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;
InChIKey UBCRUPQPEJKSMS-LLIZZRELSA-L
SMILES [Na+].[Na+].Cc1cc(C)c(cc1\N=N\c1cc(O)c2ccccc2c1S([O-])(=O)=O)S([O-])(=O)=O
ChEBI Ontology
Outgoing Ponceau SX (CHEBI:82522) is a organic molecular entity (CHEBI:50860)
Synonym Source
C.I. 14700 KEGG COMPOUND
Database Link Database
C19510 KEGG COMPOUND
View more database links
Registry Number Type Source
4548-53-2 CAS Registry Number KEGG COMPOUND