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CHEBI:84897 - nogalonate(2−)

ChEBI IDCHEBI:84897
ChEBI Namenogalonate(2−)
Stars
ASCII Namenogalonate(2-)
DefinitionAn oxo monocarboxylic acid anion obtained by deprotonation of the carboxy as well as the 5-hydroxy group of nogalonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified20 April 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H12O8
Net Charge-2
Average Mass380.308
Monoisotopic Mass380.05431
SMILESCC(=O)CC(=O)c1c(CC(=O)[O-])cc2c(c1O)C(=O)c1c([O-])cccc1C2=O
InChIInChI=1S/C20H14O8/c1-8(21)5-13(23)15-9(7-14(24)25)6-11-17(19(15)27)20(28)16-10(18(11)26)3-2-4-12(16)22/h2-4,6,22,27H,5,7H2,1H3,(H,24,25)/p-2
InChIKeyWTOVDVFGOSWBFR-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
nogalonate(2−) (CHEBI:84897) is a oxo monocarboxylic acid anion (CHEBI:35902)
nogalonate(2−) (CHEBI:84897) is a phenolate anion (CHEBI:50525)
nogalonate(2−) (CHEBI:84897) is conjugate base of nogalonic acid (CHEBI:31915)
Incoming Relation(s)
nogalonic acid (CHEBI:31915) is conjugate acid of nogalonate(2−) (CHEBI:84897)
IUPAC Name 
[4-hydroxy-5-oxido-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
Synonym  Source
[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetateSUBMITTER
UniProt Name  Source
nogalonateUniProt
Citations