CHEBI:172686 - C.I. Pigment Blue 63

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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 C.I. Pigment Blue 63
ChEBI ID CHEBI:172686
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB0854702, eMolecules:510656, ZINC000001692473
Download Molfile XML SDF
Formula C16H10N2O8S2.Al
Net Charge +3
Average Mass 449.360
Monoisotopic Mass 448.96775
InChI InChI=1S/C16H10N2O8S2.Al/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;/h1-6,17,19H,(H,21,22,23)(H,24,25,26);/q;+3
InChIKey INHYHTBURMMHBG-UHFFFAOYSA-N
SMILES S(O)(=O)(=O)C1=CC2=C(NC(C3=NC4=C(C3=O)C=C(S(O)(=O)=O)C=C4)=C2O)C=C1.[Al+3]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing C.I. Pigment Blue 63 (CHEBI:172686) is a hydroxyindoles (CHEBI:84729)
IUPAC Name
aluminum;2-(3-hydroxy-5-sulo-1H-indol-2-yl)-3-oxoindole-5-sulonic acid