CHEBI:145651 - (+)-malbrancheamide(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(1+)
ChEBI ID CHEBI:145651
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C21H24Cl2N3O
Net Charge +1
Average Mass 405.340
Monoisotopic Mass 404.12909
InChI InChI=1S/C21H23Cl2N3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-13(22)14(23)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/p+1/t16-,20+,21-/m0/s1
InChIKey GZGGCZADGIBRHT-DQLDELGASA-O
SMILES C1=C2C(=CC(=C1Cl)Cl)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(1+) (CHEBI:145651) is a organic molecular entity (CHEBI:50860)
Synonym Source
(+)-malbrancheamide UniProt
Manual Xref Database
J6P PDBeChem accession
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Citation Waiting for Citations Type Source
31548667 PubMed citation SUBMITTER