CHEBI:3361 - Cannabisativine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cannabisativine
ChEBI ID CHEBI:3361
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H39N3O3
Net Charge 0
Average Mass 381.553
Monoisotopic Mass 381.29914
InChI InChI=1S/C21H39N3O3/c1-2-3-4-11-19(25)21(27)18-10-7-9-17-16-20(26)23-14-6-5-12-22-13-8-15-24(17)18/h7,10,17-19,21-22,25,27H,2-6,8-9,11-16H2,1H3,(H,23,26)/t17-,18-,19+,21-/m0/s1
InChIKey KZZKPJBKEJKNAK-HUUJSLGLSA-N
SMILES CCCCC[C@@H](O)[C@@H](O)[C@@H]1C=CC[C@H]2CC(=O)NCCCCNCCCN12
ChEBI Ontology
Outgoing Cannabisativine (CHEBI:3361) is a azamacrocycle (CHEBI:52898)
Cannabisativine (CHEBI:3361) is a lactam (CHEBI:24995)
Synonym Source
Cannabisativine KEGG COMPOUND
Manual Xrefs Databases
C00002320 KNApSAcK
C10576 KEGG COMPOUND
View more database links
Registry Number Type Source
57682-64-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014