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CHEBI:51246 - propidium

ChEBI IDCHEBI:51246
ChEBI Namepropidium
Stars
Secondary ChEBI IDsCHEBI:45031, CHEBI:51242
Last Modified25 February 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H34N4
Net Charge+2
Average Mass414.597
Monoisotopic Mass414.27725
SMILESCC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21
InChIInChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1
InChIKeyZDWVWKDAWBGPDN-UHFFFAOYSA-O
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)
propidium (CHEBI:51246) has role fluorochrome (CHEBI:51217)
propidium (CHEBI:51246) has role intercalator (CHEBI:24853)
propidium (CHEBI:51246) is a phenanthridines (CHEBI:51245)
propidium (CHEBI:51246) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
propidium iodide (CHEBI:51240) has part propidium (CHEBI:51246)
IUPAC Name 
3,8-diamino-5-{3-[diethyl(methyl)ammonio]propyl}-6-phenylphenanthridinium
Synonyms  Source
3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUMPDBeChem
3,8-diamino-5-(3-(diethylmethylammonio)propyl)-6-phenylphenanthridiniumChemIDplus
Manual XrefsDatabases
PRMPDBeChem
DB02166DrugBank
LSM-5329LINCS
Registry NumbersSources
Beilstein:3729792Beilstein
CAS:36015-30-2ChemIDplus