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CHEBI:51801 - ATTO 495-2

ChEBI IDCHEBI:51801
ChEBI NameATTO 495-2
Stars
Last Modified23 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC21H26N3O2.ClO4
Net Charge0
Average Mass451.907
Monoisotopic Mass451.15101
SMILESCN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCC(=O)O)c2c1.O=Cl(=O)(=O)[O-]
InChIInChI=1S/C21H25N3O2.ClHO4/c1-22(2)17-9-7-15-12-16-8-10-18(23(3)4)14-20(16)24(19(15)13-17)11-5-6-21(25)26;2-1(3,4)5/h7-10,12-14H,5-6,11H2,1-4H3;(H,2,3,4,5)
InChIKeyKCYUESOHZRSRGP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
ATTO 495-2 (CHEBI:51801) has functional parent ATTO 465-2 (CHEBI:51787)
ATTO 495-2 (CHEBI:51801) has part ATTO 495-2(1+) (CHEBI:52793)
ATTO 495-2 (CHEBI:51801) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
ATTO 495-3 (CHEBI:51806) has functional parent ATTO 495-2 (CHEBI:51801)
ATTO 495-4 (CHEBI:51809) has functional parent ATTO 495-2 (CHEBI:51801)
ATTO 495-7 (CHEBI:51810) has functional parent ATTO 495-2 (CHEBI:51801)
IUPAC Name 
10-(3-carboxypropyl)-3,6-bis(dimethylamino)acridinium perchlorate
Synonym  Source
ATTO 495 free acidChEBI