EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52885 - Po-Pro-1(2+)

ChEBI IDCHEBI:52885
ChEBI NamePo-Pro-1(2+)
Stars
DefinitionAn unsymmetrical cationic C1 cyanine dye having 1,3-benzoxazol-2-yl and pyridinium-4-yl substituents.
Last Modified6 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC20H27N3O
Net Charge+2
Average Mass325.456
Monoisotopic Mass325.21432
SMILES[H]C(=C1C=CN(CCC[N+](C)(C)C)C=C1)c1oc2ccccc2[n+]1C
InChIInChI=1S/C20H27N3O/c1-21-18-8-5-6-9-19(18)24-20(21)16-17-10-13-22(14-11-17)12-7-15-23(2,3)4/h5-6,8-11,13-14,16H,7,12,15H2,1-4H3/q+2
InChIKeyVXLBFMWXLNAYSZ-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
Po-Pro-1(2+) (CHEBI:52885) has role fluorochrome (CHEBI:51217)
Po-Pro-1(2+) (CHEBI:52885) is a benzoxazolium ion (CHEBI:52841)
Po-Pro-1(2+) (CHEBI:52885) is a cyanine dye (CHEBI:37960)
Po-Pro-1(2+) (CHEBI:52885) is a pyridinium ion (CHEBI:50334)
Po-Pro-1(2+) (CHEBI:52885) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
Po-Pro-1 (CHEBI:52237) has part Po-Pro-1(2+) (CHEBI:52885)
IUPAC Names 
3-methyl-2-({1-[3-(trimethylammonio)propyl]pyridin-4(1H)-ylidene}methyl)-1,3-benzoxazol-3-ium
4-[(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-1-[3-(trimethylammonio)propyl]pyridinium
Synonym  Source
Po-Pro-1 cationChEBI