CHEBI:145679 - (+)-malbrancheamide C(1+)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (+)-malbrancheamide C(1+)
ChEBI ID CHEBI:145679
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C21H25BrN3O
Net Charge +1
Average Mass 415.354
Monoisotopic Mass 414.11755
InChI InChI=1S/C21H24BrN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-5-4-12(22)8-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/p+1/t16-,20+,21-/m0/s1
InChIKey LMABZAWQQDGLLN-DQLDELGASA-O
SMILES C1=C2C(=CC=C1Br)C3=C(N2)C([C@]4([C@@]5(C3)C[NH+]6[C@](C4)(CCC6)C(N5)=O)[H])(C)C
ChEBI Ontology
Outgoing (+)-malbrancheamide C(1+) (CHEBI:145679) is a organic molecular entity (CHEBI:50860)
Synonym Source
(+)-malbrancheamide C UniProt
Citation Waiting for Citations Type Source
28777910 PubMed citation SUBMITTER