EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:8648 - Putaminoxin

ChEBI IDCHEBI:8648
ChEBI NamePutaminoxin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H20O3
Net Charge0
Average Mass212.289
Monoisotopic Mass212.14124
SMILESCCCC1C/C=C/[C@@H](O)CCCC(=O)O1
InChIInChI=1S/C12H20O3/c1-2-5-11-8-3-6-10(13)7-4-9-12(14)15-11/h3,6,10-11,13H,2,4-5,7-9H2,1H3/b6-3+/t10-,11?/m1/s1
InChIKeySQAZDQDTNRHIGZ-QGXXYDBCSA-N
ChEBI Ontology
Outgoing Relation(s)
Putaminoxin (CHEBI:8648) is a oxacycle (CHEBI:38104)
Synonym  Source
PutaminoxinKEGG COMPOUND
Manual XrefsDatabases
C08509KEGG COMPOUND
C00001321KNApSAcK
Registry NumbersSources
CAS:172104-03-9KEGG COMPOUND