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CHEBI:184453 - Trisodium 5-oxido-4-[(e)-2-(4-sulfonatophenyl)diazen-1-yl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate

ChEBI IDCHEBI:184453
ChEBI NameTrisodium 5-oxido-4-[(e)-2-(4-sulfonatophenyl)diazen-1-yl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H9N4O9S2.3Na
Net Charge0
Average Mass534.371
Monoisotopic Mass533.95040
SMILESO=C([O-])c1nn(-c2ccc(S(=O)(=O)O)cc2)c([O-])c1/N=N/c1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]
InChIInChI=1S/C16H12N4O9S2.3Na/c21-15-13(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;;;/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;;
InChIKeyYXHBBEQKMVAJOH-GLCFPVLVSA-K
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
Trisodium 5-oxido-4-[(e)-2-(4-sulfonatophenyl)diazen-1-yl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate (CHEBI:184453) is a pyrazoles (CHEBI:26410)
Trisodium 5-oxido-4-[(e)-2-(4-sulfonatophenyl)diazen-1-yl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate (CHEBI:184453) is a ring assembly (CHEBI:36820)
IUPAC Name 
trisodium;5-oxido-4-[(4-sulonatophenyl)diazenyl]-1-(4-sulophenyl)pyrazole-3-carboxylate
Manual XrefsDatabases
17979608ChemSpider