CHEBI:189920 - C.I. Pigment Yellow 100

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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 Yellow 100
ChEBI ID CHEBI:189920
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H11N4O9S2.C16H11N4O9S2.C16H11N4O9S2.Al
Net Charge 0
Average Mass 1429.190
Monoisotopic Mass 1427.97177
InChI InChI=1S/3C16H12N4O9S2.Al/c3*21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;/h3*1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);/q;;;+3/p-3/b3*18-17+;
InChIKey WNVDZDLVUGYYKK-HBGYKRQNSA-K
SMILES S(O)(=O)(=O)C1=CC=C(N2N=C(C(/N=N/C3=CC=C(S([O-])(=O)=O)C=C3)C2=O)C(O)=O)C=C1.S(O)(=O)(=O)C1=CC=C(N2N=C(C(/N=N/C3=CC=C(S([O-])(=O)=O)C=C3)C2=O)C(O)=O)C=C1.S(O)(=O)(=O)C1=CC=C(N2N=C(C(/N=N/C3=CC=C(S([O-])(=O)=O)C=C3)C2=O)C(O)=O)C=C1.[Al+3]
Metabolite of Species Details
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing C.I. Pigment Yellow 100 (CHEBI:189920) has functional parent α-amino acid (CHEBI:33704)
C.I. Pigment Yellow 100 (CHEBI:189920) is a organonitrogen compound (CHEBI:35352)
C.I. Pigment Yellow 100 (CHEBI:189920) is a organooxygen compound (CHEBI:36963)
IUPAC Name
aluminum;4-[[3-carboxy-5-oxo-1-(4-sulophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulonate
Manual Xref Database
21160013 ChemSpider
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