CHEBI:172687 - Allura red AC

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Allura red AC
ChEBI ID CHEBI:172687
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H14N2O8S2.Na.Na
Net Charge 0
Average Mass 496.420
Monoisotopic Mass 495.99870
InChI InChI=1S/C18H16N2O8S2.2Na/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;
InChIKey CEZCCHQBSQPRMU-LLIZZRELSA-L
SMILES S([O-])(=O)(=O)C=1C(=CC(\N=N\C=2C3=C(C=C(S([O-])(=O)=O)C=C3)C=CC2O)=C(OC)C1)C.[Na+].[Na+]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Allura red AC (CHEBI:172687) is a naphthalenesulfonic acid (CHEBI:36336)
IUPAC Name
disodium;6-hydroxy-5-[(2-methoxy-5-methyl-4-sulonatophenyl)diazenyl]naphthalene-2-sulonate
Manual Xref Database
23242907 ChemSpider
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