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CHEBI:52055 - ethidium homodimer

ChEBI IDCHEBI:52055
ChEBI Nameethidium homodimer
Stars
Last Modified16 September 2009
SubmitterInma Spiteri
DownloadsMolfile
Formula2H.C41H46N8.4Cl
Net Charge0
Average Mass794.703
Monoisotopic Mass792.27560
SMILESCc1c2cc(N)ccc2c2ccc(N)cc2[n+]1CCCNCCNCCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Cl-].[Cl-].[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C41H44N8.4ClH/c1-27-37-23-29(42)9-13-33(37)35-15-11-31(44)25-39(35)48(27)21-5-17-46-19-20-47-18-6-22-49-40-26-32(45)12-16-36(40)34-14-10-30(43)24-38(34)41(49)28-7-3-2-4-8-28;;;;/h2-4,7-16,23-26,44-47H,5-6,17-22,42-43H2,1H3;4*1H
InChIKeyGTSMOYLSFUBTMV-UHFFFAOYSA-N
Roles Classification
Biological Role:
intercalator  A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages.
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
ethidium homodimer (CHEBI:52055) has functional parent ethidium (CHEBI:42478)
ethidium homodimer (CHEBI:52055) has part ethidium homodimer tetracation (CHEBI:52843)
ethidium homodimer (CHEBI:52055) has role fluorochrome (CHEBI:51217)
ethidium homodimer (CHEBI:52055) has role intercalator (CHEBI:24853)
ethidium homodimer (CHEBI:52055) is a hydrochloride (CHEBI:36807)
IUPAC Name 
3,8-diamino-5-{3-[(2-{[3-(3,8-diamino-6-methylphenanthridinium-5-yl)propyl]amino}ethyl)amino]propyl}-6-phenylphenanthridinium dichloride dihydrochloride
Synonyms  Source
5,5'-(4,7-Diazadecamethylene)-bis(3,8-diamino-6-phenylphenanthridinium) dichloride dihydrochlorideChemIDplus
Phenanthridinium, 5,5'-[1,2-ethanediylbis(imino-3,1-propanediyl)]bis(3,8-diamino-6-phenyl)-,dichloride,dihydrochlorideChEBI
Registry NumbersSources
CAS:61926-22-5ChemIDplus