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CHEBI:77987 - aklanonate(2−)

ChEBI IDCHEBI:77987
ChEBI Nameaklanonate(2−)
Stars
ASCII Nameaklanonate(2-)
DefinitionA hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 5-hydroxy groups of aklanonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified20 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC21H14O8
Net Charge-2
Average Mass394.335
Monoisotopic Mass394.06996
SMILESCCC(=O)CC(=O)c1c(CC(=O)[O-])cc2c(c1O)C(=O)c1c([O-])cccc1C2=O
InChIInChI=1S/C21H16O8/c1-2-10(22)8-14(24)16-9(7-15(25)26)6-12-18(20(16)28)21(29)17-11(19(12)27)4-3-5-13(17)23/h3-6,23,28H,2,7-8H2,1H3,(H,25,26)/p-2
InChIKeyOSKHFTHBEFJNCM-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
aklanonate(2−) (CHEBI:77987) is a oxo monocarboxylic acid anion (CHEBI:35902)
aklanonate(2−) (CHEBI:77987) is a phenolate anion (CHEBI:50525)
aklanonate(2−) (CHEBI:77987) is conjugate base of aklanonate (CHEBI:75309)
Incoming Relation(s)
aklanonate (CHEBI:75309) is conjugate acid of aklanonate(2−) (CHEBI:77987)
IUPAC Name 
[4-hydroxy-5-oxido-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate
UniProt Name  Source
aklanonateUniProt
Citations