CHEBI:33027 - atta4−

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name atta4−
ChEBI ID CHEBI:33027
ChEBI ASCII Name atta(4-)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C39H29N5O8
Net Charge -4
Average Mass 695.67646
Monoisotopic Mass 695.20381
InChI InChI=1S/C39H33N5O8/c45-35(46)20-43(21-36(47)48)18-27-9-5-13-31(40-27)33-16-26(39-29-11-3-1-7-24(29)15-25-8-2-4-12-30(25)39)17-34(42-33)32-14-6-10-28(41-32)19-44(22-37(49)50)23-38(51)52/h1-17H,18-23H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)/p-4
InChIKey OOFLZRMKTMLSMH-UHFFFAOYSA-J
SMILES [O-]C(=O)CN(CC([O-])=O)Cc1cccc(n1)-c1cc(cc(n1)-c1cccc(CN(CC([O-])=O)CC([O-])=O)n1)-c1c2ccccc2cc2ccccc12
ChEBI Ontology
Outgoing atta4− (CHEBI:33027) is a tetracarboxylic acid anion (CHEBI:35754)
atta4− (CHEBI:33027) is conjugate base of H4atta (CHEBI:33024)
Incoming ep-atta4− (CHEBI:37593) has functional parent atta4− (CHEBI:33027)
[Eu(atta)] (CHEBI:33025) has part atta4− (CHEBI:33027)
H4atta (CHEBI:33024) is conjugate acid of atta4− (CHEBI:33027)
IUPAC Name
2,2',2'',2'''-[(4'-anthracen-9-yl-2,2':6',2''-terpyridine-6,6''-diyl)bis(methylenenitrilo)]tetraacetate
Synonym Source
2,2',2'',2'''-{[4'-(9-anthryl)-2,2':6',2''-terpyridine-6,6''-diyl]bis(methylenenitrilo)}tetraacetate IUPAC
Registry Number Type Source
2398359 Gmelin Registry Number Gmelin
Last Modified
28 July 2008