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CHEBI:55446 - 6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid

ChEBI IDCHEBI:55446
ChEBI Name6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid
Stars
ASCII Name6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid
DefinitionA polycyclic compound comprising a 5-hydroxy-4H-chromen-4-one core with 3-sulfooxyphenyl and 6-gulonate substituents; which can act as a non-peptide antigen.
Last Modified12 March 2019
Submitterzjosephs
DownloadsMolfile
FormulaC21H20O14S
Net Charge0
Average Mass528.444
Monoisotopic Mass528.05738
SMILESO=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COc1ccc2occ(-c3ccccc3OS(=O)(=O)O)c(=O)c2c1O
InChIInChI=1S/C21H20O14S/c22-11(17(24)19(26)20(27)21(28)29)8-34-14-6-5-13-15(18(14)25)16(23)10(7-33-13)9-3-1-2-4-12(9)35-36(30,31)32/h1-7,11,17,19-20,22,24-27H,8H2,(H,28,29)(H,30,31,32)/t11-,17+,19-,20-/m0/s1
InChIKeyADXDKVCSBABQQD-BHJHUSPKSA-N
Roles Classification
Biological Role:
carbohydrate allergen  Any carbohydrate, carbohydrate derivative or derived substituent group which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid (CHEBI:55446) has role carbohydrate allergen (CHEBI:143231)
6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid (CHEBI:55446) is a gulonic acid derivative (CHEBI:33840)
6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid (CHEBI:55446) is conjugate acid of 6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonate (CHEBI:55447)
Incoming Relation(s)
6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonate (CHEBI:55447) is conjugate base of 6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid (CHEBI:55446)
IUPAC Name 
6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid
Synonyms  Source
PjCHOChEBI
PjCHO acidChEBI
Citations