EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:138883 - N-Sulfonyloxy-PhIP

ChEBI IDCHEBI:138883
ChEBI NameN-Sulfonyloxy-PhIP
Stars
ASCII NameN-Sulfonyloxy-PhIP
Last Modified27 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC13H12N4O4S
Net Charge0
Average Mass320.330
Monoisotopic Mass320.05793
SMILESCn1c(NOS(=O)(=O)O)nc2ncc(-c3ccccc3)cc21
InChIInChI=1S/C13H12N4O4S/c1-17-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(17)16-21-22(18,19)20/h2-8H,1H3,(H,14,15,16)(H,18,19,20)
InChIKeyLPVOGSWZCYNQGE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Sulfonyloxy-PhIP (CHEBI:138883) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
C20288KEGG COMPOUND