EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57587 - stipitatate(2−)

ChEBI IDCHEBI:57587
ChEBI Namestipitatate(2−)
Stars
ASCII Namestipitatate(2-)
DefinitionDianion of stipitatic acid arising from deprotonation of the carboxylic acid and 6-hydroxy groups.
Last Modified22 May 2014
DownloadsMolfile
FormulaC8H4O5
Net Charge-2
Average Mass180.115
Monoisotopic Mass180.00697
SMILESO=C([O-])c1cc(O)cc(=O)c([O-])c1
InChIInChI=1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,9H,(H,10,11)(H,12,13)/p-2
InChIKeyANEBWDNUQVPSJT-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
stipitatate(2−) (CHEBI:57587) is a 5-oxo monocarboxylic acid anion (CHEBI:35975)
stipitatate(2−) (CHEBI:57587) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
stipitatate(2−) (CHEBI:57587) is conjugate base of stipitatate(1−) (CHEBI:77842)
stipitatate(2−) (CHEBI:57587) is conjugate base of stipitatic acid (CHEBI:15957)
Incoming Relation(s)
stipitatate(1−) (CHEBI:77842) is conjugate acid of stipitatate(2−) (CHEBI:57587)
stipitatic acid (CHEBI:15957) is conjugate acid of stipitatate(2−) (CHEBI:57587)
IUPAC Name 
3-hydroxy-6-oxido-5-oxocyclohepta-1,3,6-triene-1-carboxylate
Synonym  Source
stipitatate dianionChEBI