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

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ChEBI Name Trisodium 5-oxido-4-[(e)-2-(4-sulfonatophenyl)diazen-1-yl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate
ChEBI ID CHEBI:184453
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H9N4O9S2.Na.Na.Na
Net Charge 0
Average Mass 534.360
Monoisotopic Mass 533.95040
InChI InChI=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+;;;
InChIKey YXHBBEQKMVAJOH-GLCFPVLVSA-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.[Na+].[Na+].[Na+]
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
17979608 ChemSpider
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