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CHEBI:149531 - carminate(2−)

ChEBI IDCHEBI:149531
ChEBI Namecarminate(2−)
Stars
ASCII Namecarminate(2-)
DefinitionA monocarboxylic acid anion obtained from the deprotonation of the 3-hydroxy and 7-carboxy groups of carminic acid. Major species at pH 7.3.
Last Modified19 May 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H18O13
Net Charge-2
Average Mass490.373
Monoisotopic Mass490.07584
SMILESCc1c(C(=O)[O-])c(O)cc2c1C(=O)c1c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([O-])c(O)c1C2=O
InChIInChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/p-2/t7-,14-,19+,20-,21+/m1/s1
InChIKeyDGQLVPJVXFOQEV-JNVSTXMASA-L
ChEBI Ontology
Outgoing Relation(s)
carminate(2−) (CHEBI:149531) is a monocarboxylic acid anion (CHEBI:35757)
carminate(2−) (CHEBI:149531) is a phenolate anion (CHEBI:50525)
carminate(2−) (CHEBI:149531) is conjugate base of carminic acid (CHEBI:78310)
Incoming Relation(s)
carminic acid (CHEBI:78310) is conjugate acid of carminate(2−) (CHEBI:149531)
IUPAC Name 
(1S)-1,5-anhydro-1-(7-carboxylato-1,4,6-trihydroxy-8-methyl-3-oxido-9,10-dioxo-9,10-dihydroanthracen-2-yl)-D-glucitol
Synonyms  Source
carminic acid dianionChEBI
carminic acid(2−)ChEBI
UniProt Name  Source
carminateUniProt
Citations