CHEBI:9439 - tentoxin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tentoxin
ChEBI ID CHEBI:9439
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:46046
Supplier Information
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Formulae C22H30N4O4
C22H30N4O4
Net Charge 0
Average Mass 414.506
Monoisotopic Mass 414.22671
InChI InChI=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
InChIKey SIIRBDOFKDACOK-LFXZBHHUSA-N
SMILES C/1(\N(C([C@@H](NC([C@H](C)N(C(CNC1=O)=O)C)=O)CC(C)C)=O)C)=C\C2=CC=CC=C2
ChEBI Ontology
Outgoing tentoxin (CHEBI:9439) is a lactam (CHEBI:24995)
Synonyms Sources
TENTOXIN PDBeChem
Tentoxin KEGG COMPOUND
Manual Xrefs Databases
C00001521 KNApSAcK
C08441 KEGG COMPOUND
TTX PDBeChem
View more database links
Registry Number Type Source
28540-82-1 CAS Registry Number KEGG COMPOUND
Last Modified
22 March 2019