CHEBI:9911 - Usambarine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Usambarine
ChEBI ID CHEBI:9911
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C30H34N4
C30H34N4
Net Charge 0
Average Mass 450.619
Monoisotopic Mass 450.27835
InChI InChI=1S/C30H34N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h3-11,19-20,27-28,31-32H,1,12-18H2,2H3/t19-,20-,27-,28-/m0/s1
InChIKey JICXOAIUPFUZPK-DXBSEXLMSA-N
SMILES C=12[C@]3(N(C[C@H](C=C)[C@](C3)(C[C@]4(C5=C(C=6C=CC=CC6N5)CCN4C)[H])[H])CCC1C=7C=CC=CC7N2)[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Usambarine (CHEBI:9911) is a harmala alkaloid (CHEBI:61379)
Synonym Source
Usambarine KEGG COMPOUND
Manual Xrefs Databases
C00001780 KNApSAcK
C09250 KEGG COMPOUND
View more database links
Registry Number Type Source
35226-29-0 CAS Registry Number KEGG COMPOUND
Last Modified
19 December 2018