CHEBI:51801 - ATTO 495-2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ATTO 495-2
ChEBI ID CHEBI:51801
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000003861733
Download Molfile XML SDF
Formula C21H26ClN3O6
Net Charge 0
Average Mass 451.90046
Monoisotopic Mass 451.15101
InChI InChI=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)
InChIKey KCYUESOHZRSRGP-UHFFFAOYSA-N
SMILES [O-]Cl(=O)(=O)=O.CN(C)c1ccc2cc3ccc(cc3[n+](CCCC(O)=O)c2c1)N(C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 acid ChEBI
Last Modified
23 July 2009