CHEBI:57587 - stipitatate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name stipitatate(2−)
ChEBI ID CHEBI:57587
ChEBI ASCII Name stipitatate(2-)
Definition Dianion of stipitatic acid arising from deprotonation of the carboxylic acid and 6-hydroxy groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H4O5
Net Charge -2
Average Mass 180.11440
Monoisotopic Mass 180.00697
InChI InChI=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
InChIKey ANEBWDNUQVPSJT-UHFFFAOYSA-L
SMILES Oc1cc(cc([O-])c(=O)c1)C([O-])=O
ChEBI Ontology
Outgoing 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 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 dianion ChEBI
Last Modified
22 May 2014