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CHEBI:90117 - indigo carmine (acid form)

Default Structure
ChEBI IDCHEBI:90117
ChEBI Nameindigo carmine (acid form)
Stars
DefinitionA member of the class of indolones obtained by formal 2,2'-oxidative coupling of two molecules of 3-oxo-2,3-dihydroindole-5-sulfonic acids.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC16H10N2O8S2
Net Charge0
Average Mass422.396
Monoisotopic Mass421.98786
SMILESO=C1/C(=C2\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/b14-13+
InChIKeyCFZXDJWFRVEWSR-BUHFOSPRSA-N
Wikipedia
Roles Classification
Biological Role:
food colouring  A food additive that imparts colour to food. In European countries, E-numbers for permitted food colours are from E 100 to E 199, divided into yellows (E 100-109), oranges (E 110-119), reds (E 120-129), blues and violets (E 130-139), greens (E 140-149), browns and blacks (E 150-159), and others (E 160-199).
Applications:
food colouring  A food additive that imparts colour to food. In European countries, E-numbers for permitted food colours are from E 100 to E 199, divided into yellows (E 100-109), oranges (E 110-119), reds (E 120-129), blues and violets (E 130-139), greens (E 140-149), browns and blacks (E 150-159), and others (E 160-199).
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
ChEBI Ontology
Outgoing Relation(s)
indigo carmine (acid form) (CHEBI:90117) has role food colouring (CHEBI:77182)
indigo carmine (acid form) (CHEBI:90117) has role histological dye (CHEBI:77178)
indigo carmine (acid form) (CHEBI:90117) is a arenesulfonic acid (CHEBI:33555)
indigo carmine (acid form) (CHEBI:90117) is a enone (CHEBI:51689)
indigo carmine (acid form) (CHEBI:90117) is a indolones (CHEBI:24829)
indigo carmine (acid form) (CHEBI:90117) is a olefinic compound (CHEBI:78840)
indigo carmine (acid form) (CHEBI:90117) is a ring assembly (CHEBI:36820)
indigo carmine (acid form) (CHEBI:90117) is conjugate acid of indigo carmine(2−) (CHEBI:90120)
Incoming Relation(s)
indigo carmine(2−) (CHEBI:90120) is conjugate base of indigo carmine (acid form) (CHEBI:90117)
IUPAC Name 
(2E)-3-oxo-2-(3-oxo-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonic acid
Synonyms  Source
2-(1,3-Dihydro-3-oxo-5-sulpho-2H-indol-2-ylidene)-3-oxoindoline-5-sulphonic acidChemIDplus
indigo-5,5'-disulfonic acidChEBI
indigo carmine free acidChEBI
IndigotindisulfonateChemIDplus
Indigotindisulfonic acidChemIDplus
Manual XrefsDatabases
4575DrugCentral
HMDB0059912HMDB
Indigo_carmineWikipedia
Registry NumbersSources
Reaxys:64330Reaxys
CAS:483-20-5ChemIDplus