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CHEBI:52886 - Po-Pro-3(2+)

ChEBI IDCHEBI:52886
ChEBI NamePo-Pro-3(2+)
Stars
DefinitionAn unsymmetrical C3 cyanine dye having 1,3-benzoxazol-2-yl and pyridinium-4-yl substituents at each end.
Last Modified31 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC22H29N3O
Net Charge+2
Average Mass351.494
Monoisotopic Mass351.22997
SMILES[H]C(=C1C=CN(CCC[N+](C)(C)C)C=C1)C([H])=C([H])c1oc2ccccc2[n+]1C
InChIInChI=1S/C22H29N3O/c1-23-20-10-5-6-11-21(20)26-22(23)12-7-9-19-13-16-24(17-14-19)15-8-18-25(2,3)4/h5-7,9-14,16-17H,8,15,18H2,1-4H3/q+2
InChIKeyIRNFZNDMEONWJL-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
Po-Pro-3(2+) (CHEBI:52886) has role fluorochrome (CHEBI:51217)
Po-Pro-3(2+) (CHEBI:52886) is a benzoxazolium ion (CHEBI:52841)
Po-Pro-3(2+) (CHEBI:52886) is a cyanine dye (CHEBI:37960)
Po-Pro-3(2+) (CHEBI:52886) is a pyridinium ion (CHEBI:50334)
Po-Pro-3(2+) (CHEBI:52886) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
Po-Pro-3 (CHEBI:52238) has part Po-Pro-3(2+) (CHEBI:52886)
IUPAC Names 
3-methyl-2-(3-{1-[3-(trimethylammonio)propyl]pyridin-4(1H)-ylidene}prop-1-en-1-yl)-1,3-benzoxazol-3-ium
4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1-[3-(trimethylammonio)propyl]pyridinium
Synonym  Source
Po-Pro-3 cationChEBI