EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:9439 - tentoxin

ChEBI IDCHEBI:9439
ChEBI Nametentoxin
Stars
Secondary ChEBI IDCHEBI:46046
Last Modified22 March 2019
DownloadsMolfile
FormulaC22H30N4O4
Net Charge0
Average Mass414.506
Monoisotopic Mass414.22671
SMILESCC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CNC(=O)/C(=C/c2ccccc2)N(C)C1=O
InChIInChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-/t15-,17-/m0/s1
InChIKeySIIRBDOFKDACOK-LFXZBHHUSA-N
ChEBI Ontology
Outgoing Relation(s)
tentoxin (CHEBI:9439) is a lactam (CHEBI:24995)
Synonyms  Source
TentoxinKEGG COMPOUND
TENTOXINPDBeChem
Manual XrefsDatabases
C08441KEGG COMPOUND
TTXPDBeChem
C00001521KNApSAcK
Registry NumbersSources
CAS:28540-82-1KEGG COMPOUND