EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91082 - 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate

ChEBI IDCHEBI:91082
ChEBI Name5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate
Stars
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phospho and sulfo groups of 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid.
Last Modified3 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC14H10N3O12PS2
Net Charge-4
Average Mass507.351
Monoisotopic Mass506.94655
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)/p-4
InChIKeyPNFZSRRRZNXSMF-UHFFFAOYSA-J
ChEBI Ontology
Outgoing Relation(s)
5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91082) is a organophosphate oxoanion (CHEBI:58945)
5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91082) is a organosulfonate oxoanion (CHEBI:33554)
5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91082) is conjugate base of 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941)
Incoming Relation(s)
tetrasodium 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91080) has part 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91082)
5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid (CHEBI:34941) is conjugate acid of 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate (CHEBI:91082)
Synonym  Source
PPADS(4−)ChEBI
Registry NumbersSources
Reaxys:8173405Reaxys