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CHEBI:31695 - indigo carmine

Default Structure
ChEBI IDCHEBI:31695
ChEBI Nameindigo carmine
Stars
DefinitionAn organic sodium salt resulting from the formal condensation of indigo carmine (acid form) with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow.
Last Modified5 December 2019
DownloadsMolfile
FormulaC16H8N2O8S2.2Na
Net Charge0
Average Mass466.360
Monoisotopic Mass465.95175
SMILESO=C1/C(=C2\Nc3ccc(S(=O)(=O)[O-])cc3C2=O)Nc2ccc(S(=O)(=O)[O-])cc21.[Na+].[Na+]
InChIInChI=1S/C16H10N2O8S2.2Na/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);;/q;2*+1/p-2/b14-13+;;
InChIKeyKHLVKKOJDHCJMG-QDBORUFSSA-L
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).
two-colour indicator  A colour indicator that possesses a different colour on each side of the transition interval.
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 (CHEBI:31695) has part indigo carmine(2−) (CHEBI:90120)
indigo carmine (CHEBI:31695) has role food colouring (CHEBI:77182)
indigo carmine (CHEBI:31695) has role histological dye (CHEBI:77178)
indigo carmine (CHEBI:31695) has role two-colour indicator (CHEBI:50412)
indigo carmine (CHEBI:31695) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonate
Synonyms  Source
C.I. Acid Blue 74ChemIDplus
C.I. Food Blue 1ChemIDplus
C.I. Food Blue 1, disodium saltChemIDplus
C.I. Natural Blue 2ChemIDplus
Disodium 3,3'-dioxo-(delta2,2'-biindoline)-5,5'-disulfonateChemIDplus
Disodium 5,5'-disulfoindigoChemIDplus
Brand Names  Source
Acid blue 74ChEBI
C.I. 73015ChEBI
C.I. 75781ChEBI
Indigo carmineKEGG DRUG
Natural blue 2ChEBI
Manual XrefsDatabases
D01563KEGG DRUG
HMDB0059912HMDB
Indigo_carmineWikipedia
Registry NumbersSources
Reaxys:905434Reaxys
CAS:860-22-0KEGG COMPOUND
CAS:860-22-0ChemIDplus
Citations