atta(4-) (CHEBI:33027)

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CHEBI:33027 - atta⁴⁻

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ChEBI ID	CHEBI:33027
ChEBI Name	atta⁴⁻
Stars
ASCII Name	atta(4-)
Last Modified	28 July 2008
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C39H29N5O8
Net Charge	-4
Average Mass	695.688
Monoisotopic Mass	695.20381
SMILES	O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cc(-c3c4ccccc4cc4ccccc34)cc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)n2)n1
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

ChEBI Ontology

Outgoing Relation(s)
	atta⁴⁻ (CHEBI:33027) is a tetracarboxylic acid anion (CHEBI:35754)
	atta⁴⁻ (CHEBI:33027) is conjugate base of H₄atta (CHEBI:33024)
Incoming Relation(s)
	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 Numbers	Sources
Gmelin:2398359	Gmelin