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CHEBI:91080 - tetrasodium 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate

ChEBI IDCHEBI:91080
ChEBI Nametetrasodium 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate
Stars
DefinitionAn organic sodium salt that is the tetrasodium salt of 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid
Last Modified3 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC14H10N3O12PS2.4Na
Net Charge0
Average Mass599.311
Monoisotopic Mass598.90343
SMILES[H]C(=O)c1c(O)c(C)nc(N=Nc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c1COP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C14H14N3O12PS2.4Na/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28;;;;/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28);;;;/q;4*+1/p-4
InChIKeyKURWUCJJNVPCHT-UHFFFAOYSA-J
Roles Classification
Biological Role:
purinergic receptor P2X antagonist  An antagonist at purinergic P2X receptors
ChEBI Ontology
Outgoing Relation(s)
tetrasodium 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91080) has part 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91082)
tetrasodium 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91080) has role purinergic receptor P2X antagonist (CHEBI:91081)
tetrasodium 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91080) is a organic sodium salt (CHEBI:38700)
tetrasodium 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91080) is a organosulfonate salt (CHEBI:64382)
IUPAC Name 
tetrasodium 4-({4-formyl-5-hydroxy-6-methyl-3-[(phosphonatooxy)methyl]pyridin-2-yl}diazenyl)benzene-1,3-disulfonate
Synonyms  Source
PPADS tetrasodium saltChEBI
sodium 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonateChEBI
Registry NumbersSources
Reaxys:8180951Reaxys
Citations