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CHEBI:64901 - mygalin

ChEBI IDCHEBI:64901
ChEBI Namemygalin
Stars
DefinitionA member of the class of benzamides obtained by formal condensation of the two primary amino groups of spemidine with the carboxy groups from two molecules of 2,5-dihydroxybenzoic acid.
Last Modified6 March 2014
SubmitterP.I. da Silva Jr.
DownloadsMolfile
FormulaC21H27N3O6
Net Charge0
Average Mass417.462
Monoisotopic Mass417.18999
SMILESO=C(NCCCCNCCCNC(=O)c1cc(O)ccc1O)c1cc(O)ccc1O
InChIInChI=1S/C21H27N3O6/c25-14-4-6-18(27)16(12-14)20(29)23-10-2-1-8-22-9-3-11-24-21(30)17-13-15(26)5-7-19(17)28/h4-7,12-13,22,25-28H,1-3,8-11H2,(H,23,29)(H,24,30)
InChIKeyLOUWELXLLQURSP-UHFFFAOYSA-N
Roles Classification
Biological Role:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
mygalin (CHEBI:64901) has functional parent 2,5-dihydroxybenzoic acid (CHEBI:17189)
mygalin (CHEBI:64901) has functional parent spermidine (CHEBI:16610)
mygalin (CHEBI:64901) has role antibacterial agent (CHEBI:33282)
mygalin (CHEBI:64901) is a benzamides (CHEBI:22702)
mygalin (CHEBI:64901) is a hydroquinones (CHEBI:24646)
IUPAC Name 
N-[3-({4-[(2,5-dihydroxybenzoyl)amino]butyl}amino)propyl]-2,5-dihydroxybenzamide
Synonym  Source
N1,N8-bis(2,5-dihydroxybenzoyl)spermidineChEBI
Citations