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CHEBI:34941 - 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid

Default Structure
ChEBI IDCHEBI:34941
ChEBI Name5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid
Stars
DefinitionAn arenesulfonic acid that is pyridoxal 5'-phosphate carrying an additional 2,4-disulfophenylazo substituent at position 6.
Last Modified3 February 2016
DownloadsMolfile
FormulaC14H14N3O12PS2
Net Charge0
Average Mass511.383
Monoisotopic Mass510.97565
SMILES[H]C(=O)c1c(O)c(C)nc(N=Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1COP(=O)(O)O
InChIInChI=1S/C14H14N3O12PS2/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)
InChIKeyPNFZSRRRZNXSMF-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
purinergic receptor P2X antagonist  An antagonist at purinergic P2X receptors
ChEBI Ontology
Outgoing Relation(s)
5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941) has functional parent pyridoxal 5'-phosphate (CHEBI:18405)
5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941) has role purinergic receptor P2X antagonist (CHEBI:91081)
5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941) is a arenesulfonic acid (CHEBI:33555)
5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941) is a azobenzenes (CHEBI:22682)
5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941) is a methylpyridines (CHEBI:25340)
5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941) is a monohydroxypyridine (CHEBI:38182)
5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941) is a organic phosphate (CHEBI:25703)
5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941) is a pyridinecarbaldehyde (CHEBI:38187)
5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941) is conjugate acid of 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91082)
Incoming Relation(s)
5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91082) is conjugate base of 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941)
IUPAC Name 
4-({4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl)benzene-1,3-disulfonic acid
Synonyms  Source
4-((4-Formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)-1,3-benzenedisulfonic acidChemIDplus
PPADSKEGG COMPOUND
Pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acidChemIDplus
Manual XrefsDatabases
C13745KEGG COMPOUND
PPADSWikipedia
Registry NumbersSources
Reaxys:8172901Reaxys
CAS:149017-66-3KEGG COMPOUND
CAS:149017-66-3ChemIDplus
Citations